2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine

C19H19FN4 — CID 135127970

IUPAC2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine
SMILESNc1nc(C2C=NC=CC2)nc2c1=CC(C1C=C(F)C=CC1)CC=2
InChIInChI=1S/C19H19FN4/c20-15-5-1-3-12(9-15)13-6-7-17-16(10-13)18(21)24-19(23-17)14-4-2-8-22-11-14/h1-2,5,7-14H,3-4,6H2,(H2,21,23,24)
InChIKeyMBLSKEVJUGFNRY-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.14
Rot. Bonds2

About 2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine

2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine (PubChem CID 135127970) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine
PubChem CID135127970
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine
SMILESNc1nc(C2C=NC=CC2)nc2c1=CC(C1C=C(F)C=CC1)CC=2
InChIInChI=1S/C19H19FN4/c20-15-5-1-3-12(9-15)13-6-7-17-16(10-13)18(21)24-19(23-17)14-4-2-8-22-11-14/h1-2,5,7-14H,3-4,6H2,(H2,21,23,24)
InChIKeyMBLSKEVJUGFNRY-UHFFFAOYSA-N
XLogP2.14
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine?
The IUPAC name of 2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine (CID 135127970) is 2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine.
What is the SMILES notation for 2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine?
The canonical SMILES for 2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine is Nc1nc(C2C=NC=CC2)nc2c1=CC(C1C=C(F)C=CC1)CC=2.
What is the InChIKey of 2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine?
The InChIKey is MBLSKEVJUGFNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c20-15-5-1-3-12(9-15)13-6-7-17-16(10-13)18(21)24-19(23-17)14-4-2-8-22-11-14/h1-2,5,7-14H,3-4,6H2,(H2,21,23,24).
What are the key properties of 2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine?
2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine has a molecular weight of 322.39 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine is sourced from PubChem (CID 135127970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).