N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

C19H20FN3 — CID 135170065

IUPACN-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESC=C(/C=C\C)c1nc2c(c(Nc3cccc(F)c3)n1)CCCC2
InChIInChI=1S/C19H20FN3/c1-3-7-13(2)18-22-17-11-5-4-10-16(17)19(23-18)21-15-9-6-8-14(20)12-15/h3,6-9,12H,2,4-5,10-11H2,1H3,(H,21,22,23)/b7-3-
InChIKeyHFNCLUAOACWYQC-CLTKARDFSA-N
MW309.39 g/mol
LogP4.83
Rot. Bonds4

About N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 135170065) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID135170065
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC NameN-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESC=C(/C=C\C)c1nc2c(c(Nc3cccc(F)c3)n1)CCCC2
InChIInChI=1S/C19H20FN3/c1-3-7-13(2)18-22-17-11-5-4-10-16(17)19(23-18)21-15-9-6-8-14(20)12-15/h3,6-9,12H,2,4-5,10-11H2,1H3,(H,21,22,23)/b7-3-
InChIKeyHFNCLUAOACWYQC-CLTKARDFSA-N
XLogP4.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-methylsulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102304
N-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102184
N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 134113531
2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190601
2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678644
4-N-(2,6-dimethylphenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928394
4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22695657
4-chloro-6-(3-fluoroanilino)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 3310838
N-(3-fluorophenyl)-6-methylpyridin-2-amine
CID 119089651
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 134116460
2-benzyl-N-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 91965755

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 135170065) is N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is C=C(/C=C\C)c1nc2c(c(Nc3cccc(F)c3)n1)CCCC2.
What is the InChIKey of N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HFNCLUAOACWYQC-CLTKARDFSA-N. The full InChI is InChI=1S/C19H20FN3/c1-3-7-13(2)18-22-17-11-5-4-10-16(17)19(23-18)21-15-9-6-8-14(20)12-15/h3,6-9,12H,2,4-5,10-11H2,1H3,(H,21,22,23)/b7-3-.
What are the key properties of N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 309.39 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 135170065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).