N-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide

C23H27N7O2 — CID 160615031

IUPACN-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide
SMILESCC[C@H](Nc1nccc2[nH]cnc12)c1nc(CCCCCC(=O)NO)c2ccccc2n1
InChIInChI=1S/C23H27N7O2/c1-2-16(27-23-21-19(12-13-24-23)25-14-26-21)22-28-17(9-4-3-5-11-20(31)30-32)15-8-6-7-10-18(15)29-22/h6-8,10,12-14,16,32H,2-5,9,11H2,1H3,(H,24,27)(H,25,26)(H,30,31)/t16-/m0/s1
InChIKeyGCDVPXGQSOQFNM-INIZCTEOSA-N
MW433.52 g/mol
LogP4.07
Rot. Bonds10

About N-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide

N-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide (PubChem CID 160615031) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide
PubChem CID160615031
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide
SMILESCC[C@H](Nc1nccc2[nH]cnc12)c1nc(CCCCCC(=O)NO)c2ccccc2n1
InChIInChI=1S/C23H27N7O2/c1-2-16(27-23-21-19(12-13-24-23)25-14-26-21)22-28-17(9-4-3-5-11-20(31)30-32)15-8-6-7-10-18(15)29-22/h6-8,10,12-14,16,32H,2-5,9,11H2,1H3,(H,24,27)(H,25,26)(H,30,31)/t16-/m0/s1
InChIKeyGCDVPXGQSOQFNM-INIZCTEOSA-N
XLogP4.07
TPSA128.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

N-hydroxy-2-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]-1,3-thiazole-4-carboxamide
CID 159823187
6-[2-[(1S)-1-[(2-amino-5-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]-N-hydroxyhexanamide
CID 142506119
N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine
CID 142506227
2-[(1S)-1-(1H-benzimidazol-4-ylamino)propyl]-5-fluoro-3-phenylquinazolin-4-one;5-fluoro-3-phenyl-2-[(1S)-1-(1H-pyrrolo[3,2-c]pyridin-4-ylamino)propyl]quinazolin-4-one;5-fluoro-3-phenyl-2-[(1S)-3,3,3-trifluoro-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-one;5-fluoro-3-phenyl-2-[(1S)-3,3,3-trifluoro-1-(1H-pyrrolo[3,2-c]pyridin-4-ylamino)propyl]quinazolin-4-one
CID 162147553
N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine
CID 90347930
11-acridin-9-ylundecanoic acid
CID 10737446
16-(2-ethylsulfanylquinazolin-4-yl)hexadecanamide
CID 11683712
N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide
CID 122182519
methyl 6-isoquinolin-1-ylhexanoate
CID 18979293
ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate
CID 141170847
N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
CID 25226359
N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide
CID 175916850

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]hexanamide?
The IUPAC name of N-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide (CID 160615031) is N-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide.
What is the SMILES notation for N-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide?
The canonical SMILES for N-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide is CC[C@H](Nc1nccc2[nH]cnc12)c1nc(CCCCCC(=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]hexanamide?
The InChIKey is GCDVPXGQSOQFNM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-2-16(27-23-21-19(12-13-24-23)25-14-26-21)22-28-17(9-4-3-5-11-20(31)30-32)15-8-6-7-10-18(15)29-22/h6-8,10,12-14,16,32H,2-5,9,11H2,1H3,(H,24,27)(H,25,26)(H,30,31)/t16-/m0/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]hexanamide?
N-hydroxy-6-[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]quinazolin-4-yl]hexanamide has a molecular weight of 433.52 g/mol, XLogP of 4.07, 10 rotatable bonds, 4 hydrogen bond donors, and 7 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]hexanamide is sourced from PubChem (CID 160615031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).