(Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine

C20H19FN6 — CID 176600460

IUPAC(Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1cnc2c(c1)CN(c1ncnc3ccc(F)cc13)CC2
InChIInChI=1S/C20H19FN6/c1-23-9-15(8-22)13-6-14-11-27(5-4-18(14)24-10-13)20-17-7-16(21)2-3-19(17)25-12-26-20/h2-3,6-10,12H,4-5,11,22H2,1H3/b15-8+,23-9+
InChIKeyIUZPXSFUAMUKTG-ZYLQYFMKSA-N
MW362.41 g/mol
LogP2.73
Rot. Bonds3

About (Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine

(Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine (PubChem CID 176600460) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is (Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine
PubChem CID176600460
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name(Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1cnc2c(c1)CN(c1ncnc3ccc(F)cc13)CC2
InChIInChI=1S/C20H19FN6/c1-23-9-15(8-22)13-6-14-11-27(5-4-18(14)24-10-13)20-17-7-16(21)2-3-19(17)25-12-26-20/h2-3,6-10,12H,4-5,11,22H2,1H3/b15-8+,23-9+
InChIKeyIUZPXSFUAMUKTG-ZYLQYFMKSA-N
XLogP2.73
TPSA80.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine (CID 176600460) is (Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine is C/N=C/C(=C\N)c1cnc2c(c1)CN(c1ncnc3ccc(F)cc13)CC2.
What is the InChIKey of (Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is IUZPXSFUAMUKTG-ZYLQYFMKSA-N. The full InChI is InChI=1S/C20H19FN6/c1-23-9-15(8-22)13-6-14-11-27(5-4-18(14)24-10-13)20-17-7-16(21)2-3-19(17)25-12-26-20/h2-3,6-10,12H,4-5,11,22H2,1H3/b15-8+,23-9+.
What are the key properties of (Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine?
(Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 362.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 176600460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).