N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine

C19H18ClFN4 — CID 166540141

IUPACN-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2ccc([C@@H]3CCCNC3)cc12
InChIInChI=1S/C19H18ClFN4/c20-15-4-1-5-17(18(15)21)25-19-14-9-12(13-3-2-8-22-10-13)6-7-16(14)23-11-24-19/h1,4-7,9,11,13,22H,2-3,8,10H2,(H,23,24,25)/t13-/m1/s1
InChIKeyJCCOOAZTZVXOGG-CYBMUJFWSA-N
MW356.83 g/mol
LogP4.63
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine

N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine (PubChem CID 166540141) has the molecular formula C19H18ClFN4 and a molecular weight of 356.83 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine
PubChem CID166540141
Molecular FormulaC19H18ClFN4
Molecular Weight356.83 g/mol
Exact Mass356.12
IUPAC NameN-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2ccc([C@@H]3CCCNC3)cc12
InChIInChI=1S/C19H18ClFN4/c20-15-4-1-5-17(18(15)21)25-19-14-9-12(13-3-2-8-22-10-13)6-7-16(14)23-11-24-19/h1,4-7,9,11,13,22H,2-3,8,10H2,(H,23,24,25)/t13-/m1/s1
InChIKeyJCCOOAZTZVXOGG-CYBMUJFWSA-N
XLogP4.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine (CID 166540141) is N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine is Fc1c(Cl)cccc1Nc1ncnc2ccc([C@@H]3CCCNC3)cc12.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine?
The InChIKey is JCCOOAZTZVXOGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18ClFN4/c20-15-4-1-5-17(18(15)21)25-19-14-9-12(13-3-2-8-22-10-13)6-7-16(14)23-11-24-19/h1,4-7,9,11,13,22H,2-3,8,10H2,(H,23,24,25)/t13-/m1/s1.
What are the key properties of N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine?
N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine has a molecular weight of 356.83 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine is sourced from PubChem (CID 166540141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).