N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide

C27H43N7O4 — CID 145433704

IUPACN-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide
SMILESCOc1cc2c(NC3CCNCC3)nc(N3CCCN(C)CC3)nc2cc1OCCCCCCC(=O)NO
InChIInChI=1S/C27H43N7O4/c1-33-13-7-14-34(16-15-33)27-30-22-19-24(38-17-6-4-3-5-8-25(35)32-36)23(37-2)18-21(22)26(31-27)29-20-9-11-28-12-10-20/h18-20,28,36H,3-17H2,1-2H3,(H,32,35)(H,29,30,31)
InChIKeyAUQVXPXCLGMRAQ-UHFFFAOYSA-N
MW529.69 g/mol
LogP2.78
Rot. Bonds12

About N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide

N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide (PubChem CID 145433704) has the molecular formula C27H43N7O4 and a molecular weight of 529.69 g/mol. Its IUPAC name is N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide
PubChem CID145433704
Molecular FormulaC27H43N7O4
Molecular Weight529.69 g/mol
Exact Mass529.34
IUPAC NameN-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide
SMILESCOc1cc2c(NC3CCNCC3)nc(N3CCCN(C)CC3)nc2cc1OCCCCCCC(=O)NO
InChIInChI=1S/C27H43N7O4/c1-33-13-7-14-34(16-15-33)27-30-22-19-24(38-17-6-4-3-5-8-25(35)32-36)23(37-2)18-21(22)26(31-27)29-20-9-11-28-12-10-20/h18-20,28,36H,3-17H2,1-2H3,(H,32,35)(H,29,30,31)
InChIKeyAUQVXPXCLGMRAQ-UHFFFAOYSA-N
XLogP2.78
TPSA124.11 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.69
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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'}

Analyze N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)quinazolin-4-amine
CID 44604814
N-[1-(cyclohexylmethyl)piperidin-4-yl]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 53315872
N-(1,1-dioxothian-4-yl)-6-methoxy-2-(4-methylpiperazin-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163809675
8-[4-[4-[(1-benzylpiperidin-4-yl)amino]-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 155564436
6-methoxy-2-(4-propan-2-yl-1,4-diazepan-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 53315861
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547
N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 53315450
2-[3-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]propyl-methylamino]ethanol
CID 155530887
N-(1-cyclopropylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-piperidin-1-ylpropoxy)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine;6-methoxy-2-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163526287
N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 139592905
N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 53315882
6,7-dimethoxy-2-N-[6-[1-[3-[6-methoxy-4-[[(3S)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]piperidin-4-yl]hexyl]-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine
CID 146669686

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide?
The IUPAC name of N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide (CID 145433704) is N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide.
What is the SMILES notation for N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide?
The canonical SMILES for N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide is COc1cc2c(NC3CCNCC3)nc(N3CCCN(C)CC3)nc2cc1OCCCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide?
The InChIKey is AUQVXPXCLGMRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N7O4/c1-33-13-7-14-34(16-15-33)27-30-22-19-24(38-17-6-4-3-5-8-25(35)32-36)23(37-2)18-21(22)26(31-27)29-20-9-11-28-12-10-20/h18-20,28,36H,3-17H2,1-2H3,(H,32,35)(H,29,30,31).
What are the key properties of N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide?
N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide has a molecular weight of 529.69 g/mol, XLogP of 2.78, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-(piperidin-4-ylamino)quinazolin-7-yl]oxyheptanamide is sourced from PubChem (CID 145433704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).