3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione

C19H19FN4O3 — CID 10177169

IUPAC3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
SMILESCOc1c(-c2cccc(CN)c2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12
InChIInChI=1S/C19H19FN4O3/c1-27-17-15(11-4-2-3-10(7-11)9-21)14(20)8-13-16(17)23(12-5-6-12)19(26)24(22)18(13)25/h2-4,7-8,12H,5-6,9,21-22H2,1H3
InChIKeyPFAJJDAMOIXZMN-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.49
Rot. Bonds4

About 3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione

3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione (PubChem CID 10177169) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione.

Molecular Properties

Compound Name3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
PubChem CID10177169
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
SMILESCOc1c(-c2cccc(CN)c2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12
InChIInChI=1S/C19H19FN4O3/c1-27-17-15(11-4-2-3-10(7-11)9-21)14(20)8-13-16(17)23(12-5-6-12)19(26)24(22)18(13)25/h2-4,7-8,12H,5-6,9,21-22H2,1H3
InChIKeyPFAJJDAMOIXZMN-UHFFFAOYSA-N
XLogP1.49
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-7-[(3S,4R)-3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 69076864
3-amino-7-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10271056
3-amino-7-[(3R,4S)-3-[(1R)-1-amino-2-phenoxyethyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 67013818
3-amino-1-cyclopropyl-6-fluoro-8-methoxy-7-[methyl-(5,5,5-trifluoro-4-hydroxy-3-methylpentyl)amino]quinazoline-2,4-dione
CID 143016557
3-amino-7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10110878
3-amino-7-[2-(aminomethyl)-1,3-thiazol-4-yl]-8-chloro-1-cyclopropyl-6-fluoroquinazoline-2,4-dione
CID 10293224
3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 142672061
3-[[1-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)azetidin-3-yl]cyclopropyl]amino]propanenitrile
CID 58944873
[(2S)-2-amino-2-[(3R)-1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethyl]urea
CID 69073896
3-amino-1-cyclopropyl-6-fluoro-7-[3-[(1-isocyanopropan-2-ylamino)methyl]pyrrolidin-1-yl]-8-methoxyquinazoline-2,4-dione
CID 58945003
tert-butyl N-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-4-fluoropyrrolidin-3-yl]carbamate
CID 69074700
3-amino-7-[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoroquinazoline-2,4-dione
CID 69075743

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione?
The IUPAC name of 3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione (CID 10177169) is 3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione.
What is the SMILES notation for 3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione?
The canonical SMILES for 3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione is COc1c(-c2cccc(CN)c2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12.
What is the InChIKey of 3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione?
The InChIKey is PFAJJDAMOIXZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-27-17-15(11-4-2-3-10(7-11)9-21)14(20)8-13-16(17)23(12-5-6-12)19(26)24(22)18(13)25/h2-4,7-8,12H,5-6,9,21-22H2,1H3.
What are the key properties of 3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione?
3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione has a molecular weight of 370.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione is sourced from PubChem (CID 10177169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).