N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide

C22H22N6O3 — CID 140610773

IUPACN-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide
SMILESCOc1cc2ncnc(Nc3ccc4c(c3)CC(=O)N4)c2cc1NC(=O)C1CCCN1
InChIInChI=1S/C22H22N6O3/c1-31-19-10-17-14(9-18(19)28-22(30)16-3-2-6-23-16)21(25-11-24-17)26-13-4-5-15-12(7-13)8-20(29)27-15/h4-5,7,9-11,16,23H,2-3,6,8H2,1H3,(H,27,29)(H,28,30)(H,24,25,26)
InChIKeyNKXXPDNCKXRITI-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.57
Rot. Bonds5

About N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide

N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide (PubChem CID 140610773) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide
PubChem CID140610773
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC NameN-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide
SMILESCOc1cc2ncnc(Nc3ccc4c(c3)CC(=O)N4)c2cc1NC(=O)C1CCCN1
InChIInChI=1S/C22H22N6O3/c1-31-19-10-17-14(9-18(19)28-22(30)16-3-2-6-23-16)21(25-11-24-17)26-13-4-5-15-12(7-13)8-20(29)27-15/h4-5,7,9-11,16,23H,2-3,6,8H2,1H3,(H,27,29)(H,28,30)(H,24,25,26)
InChIKeyNKXXPDNCKXRITI-UHFFFAOYSA-N
XLogP2.57
TPSA117.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide 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

(2S)-N-[4-(3-chloro-2-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]pyrrolidine-2-carboxamide
CID 69194881
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 43233979
1-(2,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113917
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
(4R)-N-[4-(3-chloro-4-fluoroanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 127050677
(2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide
CID 11569390
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
N-[4-(3-chloro-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]prop-2-enamide
CID 53354143
N-[4-[4-(benzenesulfonamido)anilino]-7-methoxyquinazolin-6-yl]propanamide
CID 134153313
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2R)-N-[3-methoxy-2-[2-methoxy-6-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 102160795
N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
CID 141449293

Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide (CID 140610773) is N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide is COc1cc2ncnc(Nc3ccc4c(c3)CC(=O)N4)c2cc1NC(=O)C1CCCN1.
What is the InChIKey of N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide?
The InChIKey is NKXXPDNCKXRITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-31-19-10-17-14(9-18(19)28-22(30)16-3-2-6-23-16)21(25-11-24-17)26-13-4-5-15-12(7-13)8-20(29)27-15/h4-5,7,9-11,16,23H,2-3,6,8H2,1H3,(H,27,29)(H,28,30)(H,24,25,26).
What are the key properties of N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide?
N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]quinazolin-6-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 140610773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).