4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide

C19H17ClN4O — CID 53137371

IUPAC4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(N3CCCC3)ncnc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O/c20-14-5-3-13(4-6-14)19(25)23-15-7-8-16-17(11-15)21-12-22-18(16)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2,(H,23,25)
InChIKeySOKUSDKODNMBMT-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.14
Rot. Bonds3

About 4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide

4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide (PubChem CID 53137371) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide
PubChem CID53137371
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(N3CCCC3)ncnc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O/c20-14-5-3-13(4-6-14)19(25)23-15-7-8-16-17(11-15)21-12-22-18(16)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2,(H,23,25)
InChIKeySOKUSDKODNMBMT-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide (CID 53137371) is 4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide is O=C(Nc1ccc2c(N3CCCC3)ncnc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide?
The InChIKey is SOKUSDKODNMBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-14-5-3-13(4-6-14)19(25)23-15-7-8-16-17(11-15)21-12-22-18(16)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2,(H,23,25).
What are the key properties of 4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide?
4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide has a molecular weight of 352.83 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide is sourced from PubChem (CID 53137371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).