N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide

C20H17ClF2N4O — CID 24829708

IUPACN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
SMILESO=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H17ClF2N4O/c21-13-2-3-15-18(10-13)24-11-25-19(15)27-7-5-14(6-8-27)26-20(28)12-1-4-16(22)17(23)9-12/h1-4,9-11,14H,5-8H2,(H,26,28)
InChIKeyFQVWQRTWLYDPKJ-UHFFFAOYSA-N
MW402.83 g/mol
LogP3.96
Rot. Bonds3

About N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide

N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide (PubChem CID 24829708) has the molecular formula C20H17ClF2N4O and a molecular weight of 402.83 g/mol. Its IUPAC name is N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
PubChem CID24829708
Molecular FormulaC20H17ClF2N4O
Molecular Weight402.83 g/mol
Exact Mass402.11
IUPAC NameN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
SMILESO=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H17ClF2N4O/c21-13-2-3-15-18(10-13)24-11-25-19(15)27-7-5-14(6-8-27)26-20(28)12-1-4-16(22)17(23)9-12/h1-4,9-11,14H,5-8H2,(H,26,28)
InChIKeyFQVWQRTWLYDPKJ-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 87611497
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 86839632
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 86884110
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-4-nitrobenzamide
CID 24830041
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 87015310
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzamide
CID 155547150
N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997340
1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163352823
N-[1-(6-chloroisoquinolin-1-yl)piperidin-4-yl]-3-methylbenzamide
CID 68881620
N-[1-(6-chloroisoquinolin-1-yl)piperidin-4-yl]-2-fluorobenzamide
CID 68880991
methyl 4-[4-[4-[(2,3-dichlorobenzoyl)amino]piperidin-1-yl]quinazolin-7-yl]benzoate
CID 68879918

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide (CID 24829708) is N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide is O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide?
The InChIKey is FQVWQRTWLYDPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4O/c21-13-2-3-15-18(10-13)24-11-25-19(15)27-7-5-14(6-8-27)26-20(28)12-1-4-16(22)17(23)9-12/h1-4,9-11,14H,5-8H2,(H,26,28).
What are the key properties of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide?
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide has a molecular weight of 402.83 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 24829708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).