1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine

C22H19ClFN5 — CID 158860748

IUPAC1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine
SMILESNc1cc2cccc(F)c2c(-c2cc3ncnc(N4CCCCC4)c3cc2Cl)n1
InChIInChI=1S/C22H19ClFN5/c23-16-10-15-18(26-12-27-22(15)29-7-2-1-3-8-29)11-14(16)21-20-13(9-19(25)28-21)5-4-6-17(20)24/h4-6,9-12H,1-3,7-8H2,(H2,25,28)
InChIKeyJAPURMLRWLVKCL-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.21
Rot. Bonds2

About 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine

1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine (PubChem CID 158860748) has the molecular formula C22H19ClFN5 and a molecular weight of 407.88 g/mol. Its IUPAC name is 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine
PubChem CID158860748
Molecular FormulaC22H19ClFN5
Molecular Weight407.88 g/mol
Exact Mass407.13
IUPAC Name1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine
SMILESNc1cc2cccc(F)c2c(-c2cc3ncnc(N4CCCCC4)c3cc2Cl)n1
InChIInChI=1S/C22H19ClFN5/c23-16-10-15-18(26-12-27-22(15)29-7-2-1-3-8-29)11-14(16)21-20-13(9-19(25)28-21)5-4-6-17(20)24/h4-6,9-12H,1-3,7-8H2,(H2,25,28)
InChIKeyJAPURMLRWLVKCL-UHFFFAOYSA-N
XLogP5.21
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine
CID 158458481
tert-butyl 4-[7-(3-amino-8-fluoroisoquinolin-1-yl)-6-chloro-8-fluoroquinazolin-4-yl]piperazine-1-carboxylate
CID 146625067
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
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-3-fluorobenzonitrile
CID 118018950
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
tert-butyl 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylate
CID 146625086
6-[6-chloro-2-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 148851754
7-chloro-6-phenyl-4-piperazin-1-ylquinazoline
CID 118018983

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine?
The IUPAC name of 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine (CID 158860748) is 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine.
What is the SMILES notation for 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine?
The canonical SMILES for 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine is Nc1cc2cccc(F)c2c(-c2cc3ncnc(N4CCCCC4)c3cc2Cl)n1.
What is the InChIKey of 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine?
The InChIKey is JAPURMLRWLVKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5/c23-16-10-15-18(26-12-27-22(15)29-7-2-1-3-8-29)11-14(16)21-20-13(9-19(25)28-21)5-4-6-17(20)24/h4-6,9-12H,1-3,7-8H2,(H2,25,28).
What are the key properties of 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine?
1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine has a molecular weight of 407.88 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine is sourced from PubChem (CID 158860748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).