6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine

C19H18ClF2N5 — CID 158458481

IUPAC6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine
SMILESNc1ccc(C(F)F)c(-c2cc3ncnc(N4CCCCC4)c3cc2Cl)n1
InChIInChI=1S/C19H18ClF2N5/c20-14-8-13-15(24-10-25-19(13)27-6-2-1-3-7-27)9-12(14)17-11(18(21)22)4-5-16(23)26-17/h4-5,8-10,18H,1-3,6-7H2,(H2,23,26)
InChIKeyHEWCVESHFRFKSI-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.86
Rot. Bonds3

About 6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine

6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine (PubChem CID 158458481) has the molecular formula C19H18ClF2N5 and a molecular weight of 389.84 g/mol. Its IUPAC name is 6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine
PubChem CID158458481
Molecular FormulaC19H18ClF2N5
Molecular Weight389.84 g/mol
Exact Mass389.12
IUPAC Name6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine
SMILESNc1ccc(C(F)F)c(-c2cc3ncnc(N4CCCCC4)c3cc2Cl)n1
InChIInChI=1S/C19H18ClF2N5/c20-14-8-13-15(24-10-25-19(13)27-6-2-1-3-7-27)9-12(14)17-11(18(21)22)4-5-16(23)26-17/h4-5,8-10,18H,1-3,6-7H2,(H2,23,26)
InChIKeyHEWCVESHFRFKSI-UHFFFAOYSA-N
XLogP4.86
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine
CID 158860748
6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 159199104
4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid
CID 155267470
6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine;sulfur dioxide
CID 159199103
tert-butyl 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylate
CID 146625086
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
6-[6-chloro-2-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 148851754
1-[(2S)-4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-2-isocyanopiperazin-1-yl]-2-fluoroprop-2-en-1-one;1-[(2R)-4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-2-isocyanopiperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 159426323
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 146624860
tert-butyl 4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-(azetidin-1-yl)quinazolin-4-yl]piperazine-1-carboxylate
CID 146624950

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine (CID 158458481) is 6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine is Nc1ccc(C(F)F)c(-c2cc3ncnc(N4CCCCC4)c3cc2Cl)n1.
What is the InChIKey of 6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine?
The InChIKey is HEWCVESHFRFKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N5/c20-14-8-13-15(24-10-25-19(13)27-6-2-1-3-7-27)9-12(14)17-11(18(21)22)4-5-16(23)26-17/h4-5,8-10,18H,1-3,6-7H2,(H2,23,26).
What are the key properties of 6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine?
6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine has a molecular weight of 389.84 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158458481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).