(2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide

C26H25ClN6O2 — CID 11569390

IUPAC(2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide
SMILESCc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)[C@@H]5CCCN5)cc34)cc2Cl)n1
InChIInChI=1S/C26H25ClN6O2/c1-16-4-2-5-19(31-16)14-35-24-10-8-18(13-21(24)27)32-25-20-12-17(7-9-22(20)29-15-30-25)33-26(34)23-6-3-11-28-23/h2,4-5,7-10,12-13,15,23,28H,3,6,11,14H2,1H3,(H,33,34)(H,29,30,32)/t23-/m0/s1
InChIKeyVQURYUMCIDIGLX-QHCPKHFHSA-N
MW488.98 g/mol
LogP5.00
Rot. Bonds7

About (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide

(2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide (PubChem CID 11569390) has the molecular formula C26H25ClN6O2 and a molecular weight of 488.98 g/mol. Its IUPAC name is (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide
PubChem CID11569390
Molecular FormulaC26H25ClN6O2
Molecular Weight488.98 g/mol
Exact Mass488.17
IUPAC Name(2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide
SMILESCc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)[C@@H]5CCCN5)cc34)cc2Cl)n1
InChIInChI=1S/C26H25ClN6O2/c1-16-4-2-5-19(31-16)14-35-24-10-8-18(13-21(24)27)32-25-20-12-17(7-9-22(20)29-15-30-25)33-26(34)23-6-3-11-28-23/h2,4-5,7-10,12-13,15,23,28H,3,6,11,14H2,1H3,(H,33,34)(H,29,30,32)/t23-/m0/s1
InChIKeyVQURYUMCIDIGLX-QHCPKHFHSA-N
XLogP5.00
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]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-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-2-carboxamide
CID 11518265
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide
CID 11554402
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-methylpyrrolidine-2-carboxamide
CID 11496823
N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 77269586
(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 44542371
N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119847003
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 67334878
1-[2-[[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 69457969
1-[(2R)-2-[[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]-2-hydroxyethanone
CID 69025575
(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
CID 122081630
1-[4-[[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]-2-hydroxyethanone
CID 69024245

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide (CID 11569390) is (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide is Cc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)[C@@H]5CCCN5)cc34)cc2Cl)n1.
What is the InChIKey of (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide?
The InChIKey is VQURYUMCIDIGLX-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25ClN6O2/c1-16-4-2-5-19(31-16)14-35-24-10-8-18(13-21(24)27)32-25-20-12-17(7-9-22(20)29-15-30-25)33-26(34)23-6-3-11-28-23/h2,4-5,7-10,12-13,15,23,28H,3,6,11,14H2,1H3,(H,33,34)(H,29,30,32)/t23-/m0/s1.
What are the key properties of (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide?
(2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide has a molecular weight of 488.98 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11569390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).