7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine

C18H20ClFN4 — CID 141041674

IUPAC7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine
SMILESNCc1cccc(-c2c(F)cc3c(c2Cl)N(C2CC2)CN(N)C3)c1
InChIInChI=1S/C18H20ClFN4/c19-17-16(12-3-1-2-11(6-12)8-21)15(20)7-13-9-23(22)10-24(18(13)17)14-4-5-14/h1-3,6-7,14H,4-5,8-10,21-22H2
InChIKeyIRTPAQLWMVNTRH-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.22
Rot. Bonds3

About 7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine

7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine (PubChem CID 141041674) has the molecular formula C18H20ClFN4 and a molecular weight of 346.84 g/mol. Its IUPAC name is 7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine.

Molecular Properties

Compound Name7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine
PubChem CID141041674
Molecular FormulaC18H20ClFN4
Molecular Weight346.84 g/mol
Exact Mass346.14
IUPAC Name7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine
SMILESNCc1cccc(-c2c(F)cc3c(c2Cl)N(C2CC2)CN(N)C3)c1
InChIInChI=1S/C18H20ClFN4/c19-17-16(12-3-1-2-11(6-12)8-21)15(20)7-13-9-23(22)10-24(18(13)17)14-4-5-14/h1-3,6-7,14H,4-5,8-10,21-22H2
InChIKeyIRTPAQLWMVNTRH-UHFFFAOYSA-N
XLogP3.22
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine?
The IUPAC name of 7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine (CID 141041674) is 7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine.
What is the SMILES notation for 7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine?
The canonical SMILES for 7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine is NCc1cccc(-c2c(F)cc3c(c2Cl)N(C2CC2)CN(N)C3)c1.
What is the InChIKey of 7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine?
The InChIKey is IRTPAQLWMVNTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4/c19-17-16(12-3-1-2-11(6-12)8-21)15(20)7-13-9-23(22)10-24(18(13)17)14-4-5-14/h1-3,6-7,14H,4-5,8-10,21-22H2.
What are the key properties of 7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine?
7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine has a molecular weight of 346.84 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)phenyl]-8-chloro-1-cyclopropyl-6-fluoro-2,4-dihydroquinazolin-3-amine is sourced from PubChem (CID 141041674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).