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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10177169
7-[1-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
CID 139960171
7-[3-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dihydroquinazolin-3-amine
CID 139960247
[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
CID 61032630
[3-(2,3,5,6-tetramethylphenyl)phenyl]methanamine
CID 61034140
7-[(3R,4S)-3-[(1R)-1-amino-2-phenoxyethyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2,4-dihydroquinazolin-3-amine
CID 67012870
[3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
CID 63021121
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
[3-[6-[3-(aminomethyl)phenyl]-9H-fluoren-3-yl]phenyl]methanamine
CID 158799416
5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride
CID 169003420
[3-(7-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)phenyl]methanamine
CID 82583671
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243

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).