7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one

C23H21ClN4O2 — CID 134138065

IUPAC7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one
SMILESCOc1ccc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)cc2)nc1
InChIInChI=1S/C23H21ClN4O2/c1-28-22(29)19-9-7-17(24)13-21(19)27-23(28)25-12-11-15-3-5-16(6-4-15)20-10-8-18(30-2)14-26-20/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)
InChIKeyRLYYNFWDNJPCHL-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.31
Rot. Bonds6

About 7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one

7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one (PubChem CID 134138065) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one
PubChem CID134138065
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one
SMILESCOc1ccc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)cc2)nc1
InChIInChI=1S/C23H21ClN4O2/c1-28-22(29)19-9-7-17(24)13-21(19)27-23(28)25-12-11-15-3-5-16(6-4-15)20-10-8-18(30-2)14-26-20/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)
InChIKeyRLYYNFWDNJPCHL-UHFFFAOYSA-N
XLogP4.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one?
The IUPAC name of 7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one (CID 134138065) is 7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one is COc1ccc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)cc2)nc1.
What is the InChIKey of 7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one?
The InChIKey is RLYYNFWDNJPCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-28-22(29)19-9-7-17(24)13-21(19)27-23(28)25-12-11-15-3-5-16(6-4-15)20-10-8-18(30-2)14-26-20/h3-10,13-14H,11-12H2,1-2H3,(H,25,27).
What are the key properties of 7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one?
7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one has a molecular weight of 420.90 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-[4-(5-methoxy-2-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one is sourced from PubChem (CID 134138065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).