N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide

C27H35N5O4 — CID 59770632

IUPACN-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide
SMILESCCC(=O)NCCCCCCNC(=O)Cc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C27H35N5O4/c1-4-25(33)28-13-7-5-6-8-14-29-26(34)15-19-9-11-20(12-10-19)32-27-21-16-23(35-2)24(36-3)17-22(21)30-18-31-27/h9-12,16-18H,4-8,13-15H2,1-3H3,(H,28,33)(H,29,34)(H,30,31,32)
InChIKeyXIMGIXUPFPDGLY-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.14
Rot. Bonds14

About N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide

N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide (PubChem CID 59770632) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide.

Molecular Properties

Compound NameN-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide
PubChem CID59770632
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC NameN-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide
SMILESCCC(=O)NCCCCCCNC(=O)Cc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C27H35N5O4/c1-4-25(33)28-13-7-5-6-8-14-29-26(34)15-19-9-11-20(12-10-19)32-27-21-16-23(35-2)24(36-3)17-22(21)30-18-31-27/h9-12,16-18H,4-8,13-15H2,1-3H3,(H,28,33)(H,29,34)(H,30,31,32)
InChIKeyXIMGIXUPFPDGLY-UHFFFAOYSA-N
XLogP4.14
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide 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

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 59085159
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid
CID 11441241
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide
CID 165147958
[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
CID 10181663
1-[4-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]phenyl]ethanone;ethane
CID 142929534
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
CID 164577998
N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide
CID 134138310
2-acetamido-3-[4-[[6-(3-chloropropoxy)-7-methoxyquinazolin-4-yl]amino]phenyl]propanoic acid
CID 175403103

Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide?
The IUPAC name of N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide (CID 59770632) is N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide.
What is the SMILES notation for N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide?
The canonical SMILES for N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide is CCC(=O)NCCCCCCNC(=O)Cc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide?
The InChIKey is XIMGIXUPFPDGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-4-25(33)28-13-7-5-6-8-14-29-26(34)15-19-9-11-20(12-10-19)32-27-21-16-23(35-2)24(36-3)17-22(21)30-18-31-27/h9-12,16-18H,4-8,13-15H2,1-3H3,(H,28,33)(H,29,34)(H,30,31,32).
What are the key properties of N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide?
N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide has a molecular weight of 493.61 g/mol, XLogP of 4.14, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide is sourced from PubChem (CID 59770632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).