N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

C73H80N28O7S — CID 161329387

About N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 161329387) has the molecular formula C73H80N28O7S and a molecular weight of 1493.70 g/mol. Its IUPAC name is N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 161329387
• Molecular Formula: C73H80N28O7S
• Molecular Weight: 1493.70 g/mol
• Exact Mass: 1492.65
• IUPAC Name: N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
• SMILES: CC[C@H](Nc1nccc2[nH]cnc12)c1nc(N2CCN(c3nc(C(=O)NO)co3)CC2)c2ccccc2n1.CC[C@H](Nc1nccc2[nH]cnc12)c1nc(N2CCN(c3nc(C(=O)NO)cs3)CC2)c2ccccc2n1.CC[C@H](Nc1nccc2[nH]cnc12)c1nc(NCCCCCC(=O)NO)c2ccccc2n1
• InChI: InChI=1S/C25H26N10O3.C25H26N10O2S.C23H28N8O2/c2*1-2-16(29-22-20-18(7-8-26-22)27-14-28-20)21-30-17-6-4-3-5-15(17)23(32-21)34-9-11-35(12-10-34)25-31-19(13-38-25)24(36)33-37;1-2-16(28-23-20-18(11-13-25-23)26-14-27-20)22-29-17-9-6-5-8-15(17)21(30-22)24-12-7-3-4-10-19(32)31-33/h2*3-8,13-14,16,37H,2,9-12H2,1H3,(H,26,29)(H,27,28)(H,33,36);5-6,8-9,11,13-14,16,33H,2-4,7,10,12H2,1H3,(H,25,28)(H,26,27)(H,31,32)(H,24,29,30)/t3*16-/m000/s1
• InChIKey: VLFGHIHDMUBHRZ-PPBPZIMMSA-N
• XLogP: 10.21
• TPSA: 450.04 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1493.70
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 161329387) is N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is CC[C@H](Nc1nccc2[nH]cnc12)c1nc(N2CCN(c3nc(C(=O)NO)co3)CC2)c2ccccc2n1.CC[C@H](Nc1nccc2[nH]cnc12)c1nc(N2CCN(c3nc(C(=O)NO)cs3)CC2)c2ccccc2n1.CC[C@H](Nc1nccc2[nH]cnc12)c1nc(NCCCCCC(=O)NO)c2ccccc2n1.

What is the InChIKey of N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is VLFGHIHDMUBHRZ-PPBPZIMMSA-N. The full InChI is InChI=1S/C25H26N10O3.C25H26N10O2S.C23H28N8O2/c2*1-2-16(29-22-20-18(7-8-26-22)27-14-28-20)21-30-17-6-4-3-5-15(17)23(32-21)34-9-11-35(12-10-34)25-31-19(13-38-25)24(36)33-37;1-2-16(28-23-20-18(11-13-25-23)26-14-27-20)22-29-17-9-6-5-8-15(17)21(30-22)24-12-7-3-4-10-19(32)31-33/h2*3-8,13-14,16,37H,2,9-12H2,1H3,(H,26,29)(H,27,28)(H,33,36);5-6,8-9,11,13-14,16,33H,2-4,7,10,12H2,1H3,(H,25,28)(H,26,27)(H,31,32)(H,24,29,30)/t3*16-/m000/s1.

What are the key properties of N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?

N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 1493.70 g/mol, XLogP of 10.21, 25 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-6-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]amino]hexanamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carboxamide;N-hydroxy-2-[4-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 161329387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).