N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine

C18H17ClFN5 — CID 166540128

IUPACN-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2ccc(N3CCNCC3)cc12
InChIInChI=1S/C18H17ClFN5/c19-14-2-1-3-16(17(14)20)24-18-13-10-12(25-8-6-21-7-9-25)4-5-15(13)22-11-23-18/h1-5,10-11,21H,6-9H2,(H,22,23,24)
InChIKeyFOGJVIRFNXUAHC-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.58
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine

N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine (PubChem CID 166540128) has the molecular formula C18H17ClFN5 and a molecular weight of 357.82 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
PubChem CID166540128
Molecular FormulaC18H17ClFN5
Molecular Weight357.82 g/mol
Exact Mass357.12
IUPAC NameN-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2ccc(N3CCNCC3)cc12
InChIInChI=1S/C18H17ClFN5/c19-14-2-1-3-16(17(14)20)24-18-13-10-12(25-8-6-21-7-9-25)4-5-15(13)22-11-23-18/h1-5,10-11,21H,6-9H2,(H,22,23,24)
InChIKeyFOGJVIRFNXUAHC-UHFFFAOYSA-N
XLogP3.58
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
CID 166539801
1-[4-[4-(3-chloro-2-fluoroanilino)quinazolin-6-yl]piperazin-1-yl]prop-2-en-1-one
CID 166538883
6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine
CID 164870314
N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine
CID 166540141
N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539548
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
CID 130227832
N-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]piperazine-1-carboxamide
CID 58294878
N-(3-chloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539481
6-piperazin-1-ylquinazolin-4-amine
CID 175939020
1-[3-[4-(3-chloro-2-fluoroanilino)quinazolin-6-yl]azetidin-1-yl]prop-2-en-1-one
CID 166538763

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine (CID 166540128) is N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine is Fc1c(Cl)cccc1Nc1ncnc2ccc(N3CCNCC3)cc12.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine?
The InChIKey is FOGJVIRFNXUAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5/c19-14-2-1-3-16(17(14)20)24-18-13-10-12(25-8-6-21-7-9-25)4-5-15(13)22-11-23-18/h1-5,10-11,21H,6-9H2,(H,22,23,24).
What are the key properties of N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine?
N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine has a molecular weight of 357.82 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 166540128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).