2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide

C20H17ClN4O — CID 51589334

IUPAC2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1ccccc1Cl
InChIInChI=1S/C20H17ClN4O/c21-16-7-2-1-6-14(16)20(26)25-18-9-3-8-17-15(18)12-23-19(24-17)13-5-4-10-22-11-13/h1-2,4-7,10-12,18H,3,8-9H2,(H,25,26)/t18-/m1/s1
InChIKeyQCLDYVGFUNRGQV-GOSISDBHSA-N
MW364.84 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide

2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide (PubChem CID 51589334) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
PubChem CID51589334
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1ccccc1Cl
InChIInChI=1S/C20H17ClN4O/c21-16-7-2-1-6-14(16)20(26)25-18-9-3-8-17-15(18)12-23-19(24-17)13-5-4-10-22-11-13/h1-2,4-7,10-12,18H,3,8-9H2,(H,25,26)/t18-/m1/s1
InChIKeyQCLDYVGFUNRGQV-GOSISDBHSA-N
XLogP4.00
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide with MolForge

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Related Compounds

N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide
CID 25379238
2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide
CID 95385029
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
CID 95384867
N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476
2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72852912
2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97131151
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 45214726
N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide
CID 45235406
3-(furan-2-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 56731447
4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
CID 72907237
N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide
CID 110237742

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide (CID 51589334) is 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide is O=C(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide?
The InChIKey is QCLDYVGFUNRGQV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-16-7-2-1-6-14(16)20(26)25-18-9-3-8-17-15(18)12-23-19(24-17)13-5-4-10-22-11-13/h1-2,4-7,10-12,18H,3,8-9H2,(H,25,26)/t18-/m1/s1.
What are the key properties of 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide?
2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide has a molecular weight of 364.84 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide is sourced from PubChem (CID 51589334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).