2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide

C23H18ClN5O — CID 71181047

IUPAC2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C23H18ClN5O/c24-15-7-10-20-18(12-15)22(29-21(27-20)14-4-3-11-25-13-14)28-19-6-2-1-5-17(19)23(30)26-16-8-9-16/h1-7,10-13,16H,8-9H2,(H,26,30)(H,27,28,29)
InChIKeyICBWLHDDQLJLJZ-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.98
Rot. Bonds5

About 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide

2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide (PubChem CID 71181047) has the molecular formula C23H18ClN5O and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide
PubChem CID71181047
Molecular FormulaC23H18ClN5O
Molecular Weight415.88 g/mol
Exact Mass415.12
IUPAC Name2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C23H18ClN5O/c24-15-7-10-20-18(12-15)22(29-21(27-20)14-4-3-11-25-13-14)28-19-6-2-1-5-17(19)23(30)26-16-8-9-16/h1-7,10-13,16H,8-9H2,(H,26,30)(H,27,28,29)
InChIKeyICBWLHDDQLJLJZ-UHFFFAOYSA-N
XLogP4.98
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-propylbenzamide
CID 71180520
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71181264
6-chloro-N-[2-[1-[(3-chlorophenyl)methylamino]ethenyl]phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 122494287
N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 135127846
2-[[6-chloro-2-(2,3-dihydropyridin-5-yl)quinazolin-4-yl]amino]-N-cycloheptylbenzamide
CID 123564998
methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate
CID 71274429
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
CID 89347943
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(methylamino)benzamide
CID 163266948
2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71180723
2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide
CID 135127900

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide (CID 71181047) is 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide?
The InChIKey is ICBWLHDDQLJLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O/c24-15-7-10-20-18(12-15)22(29-21(27-20)14-4-3-11-25-13-14)28-19-6-2-1-5-17(19)23(30)26-16-8-9-16/h1-7,10-13,16H,8-9H2,(H,26,30)(H,27,28,29).
What are the key properties of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide?
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide has a molecular weight of 415.88 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 71181047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).