(2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide

C24H29N7O2 — CID 175431191

IUPAC(2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)[C@H](C)Nc1ncnc2ccc(-c3cnc(OC)c(C#N)c3)cc12
InChIInChI=1S/C24H29N7O2/c1-5-31(6-2)10-9-26-23(32)16(3)30-22-20-12-17(7-8-21(20)28-15-29-22)19-11-18(13-25)24(33-4)27-14-19/h7-8,11-12,14-16H,5-6,9-10H2,1-4H3,(H,26,32)(H,28,29,30)/t16-/m0/s1
InChIKeyXRSADIZBHISNNQ-INIZCTEOSA-N
MW447.54 g/mol
LogP2.83
Rot. Bonds10

About (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide

(2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 175431191) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide
PubChem CID175431191
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name(2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)[C@H](C)Nc1ncnc2ccc(-c3cnc(OC)c(C#N)c3)cc12
InChIInChI=1S/C24H29N7O2/c1-5-31(6-2)10-9-26-23(32)16(3)30-22-20-12-17(7-8-21(20)28-15-29-22)19-11-18(13-25)24(33-4)27-14-19/h7-8,11-12,14-16H,5-6,9-10H2,1-4H3,(H,26,32)(H,28,29,30)/t16-/m0/s1
InChIKeyXRSADIZBHISNNQ-INIZCTEOSA-N
XLogP2.83
TPSA116.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide (CID 175431191) is (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide is CCN(CC)CCNC(=O)[C@H](C)Nc1ncnc2ccc(-c3cnc(OC)c(C#N)c3)cc12.
What is the InChIKey of (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is XRSADIZBHISNNQ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-5-31(6-2)10-9-26-23(32)16(3)30-22-20-12-17(7-8-21(20)28-15-29-22)19-11-18(13-25)24(33-4)27-14-19/h7-8,11-12,14-16H,5-6,9-10H2,1-4H3,(H,26,32)(H,28,29,30)/t16-/m0/s1.
What are the key properties of (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide?
(2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 447.54 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 175431191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).