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

C19H17ClN4O — CID 53137404

IUPAC2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(N3CCCC3)ncnc2c1)c1ccccc1Cl
InChIInChI=1S/C19H17ClN4O/c20-16-6-2-1-5-14(16)19(25)23-13-7-8-15-17(11-13)21-12-22-18(15)24-9-3-4-10-24/h1-2,5-8,11-12H,3-4,9-10H2,(H,23,25)
InChIKeyZYKHZCUHHDQTQS-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.14
Rot. Bonds3

About 2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide

2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide (PubChem CID 53137404) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide
PubChem CID53137404
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(N3CCCC3)ncnc2c1)c1ccccc1Cl
InChIInChI=1S/C19H17ClN4O/c20-16-6-2-1-5-14(16)19(25)23-13-7-8-15-17(11-13)21-12-22-18(15)24-9-3-4-10-24/h1-2,5-8,11-12H,3-4,9-10H2,(H,23,25)
InChIKeyZYKHZCUHHDQTQS-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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Related Compounds

3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide
CID 53137440
5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide
CID 53140541
N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide
CID 68879453
2-ethoxy-N-(4-pyrrolidin-1-ylquinazolin-7-yl)acetamide
CID 53137372
2,4-difluoro-N-(4-morpholin-4-ylquinazolin-7-yl)benzamide
CID 53137509
2,5-difluoro-N-(4-morpholin-4-ylquinazolin-7-yl)benzamide
CID 53137510
N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 78886067
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39584681
4-(azepan-1-yl)quinazoline
CID 5207391

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide (CID 53137404) is 2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide is O=C(Nc1ccc2c(N3CCCC3)ncnc2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide?
The InChIKey is ZYKHZCUHHDQTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-16-6-2-1-5-14(16)19(25)23-13-7-8-15-17(11-13)21-12-22-18(15)24-9-3-4-10-24/h1-2,5-8,11-12H,3-4,9-10H2,(H,23,25).
What are the key properties of 2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide?
2-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 2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide is sourced from PubChem (CID 53137404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).