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

C22H20F2N6 — CID 176600452

IUPAC(Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine
SMILESN/C=C(\C=N\C1CC1)c1cnc2c(c1)CN(c1ncnc3cc(F)c(F)cc13)CC2
InChIInChI=1S/C22H20F2N6/c23-18-6-17-21(7-19(18)24)28-12-29-22(17)30-4-3-20-14(11-30)5-13(9-27-20)15(8-25)10-26-16-1-2-16/h5-10,12,16H,1-4,11,25H2/b15-8+,26-10+
InChIKeyQTHSHIAAKJRKFN-VHIDFVOUSA-N
MW406.44 g/mol
LogP3.40
Rot. Bonds4

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

(Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine (PubChem CID 176600452) has the molecular formula C22H20F2N6 and a molecular weight of 406.44 g/mol. Its IUPAC name is (Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine
PubChem CID176600452
Molecular FormulaC22H20F2N6
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC Name(Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine
SMILESN/C=C(\C=N\C1CC1)c1cnc2c(c1)CN(c1ncnc3cc(F)c(F)cc13)CC2
InChIInChI=1S/C22H20F2N6/c23-18-6-17-21(7-19(18)24)28-12-29-22(17)30-4-3-20-14(11-30)5-13(9-27-20)15(8-25)10-26-16-1-2-16/h5-10,12,16H,1-4,11,25H2/b15-8+,26-10+
InChIKeyQTHSHIAAKJRKFN-VHIDFVOUSA-N
XLogP3.40
TPSA80.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine with MolForge

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Related Compounds

(Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine
CID 176600460
4-(6,7-difluoroquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707660
methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate
CID 154849785
(Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine
CID 178171862
(3aS,9aS,9bS)-2-(6,7-difluoroquinazolin-4-yl)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine
CID 129425843
(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
CID 97342141
7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
CID 168999008
N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75474205
[2-amino-5-[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]-3-pyridinyl]oxy-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanediol
CID 174098262
3-[4-[(methylideneamino)methyl]cyclohexyl]imino-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)prop-1-en-1-amine
CID 163473187
6-cyclopropyl-7,8-dihydro-5H-1,6-naphthyridin-3-amine
CID 84662225
(4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
CID 68509311

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine (CID 176600452) is (Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine is N/C=C(\C=N\C1CC1)c1cnc2c(c1)CN(c1ncnc3cc(F)c(F)cc13)CC2.
What is the InChIKey of (Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine?
The InChIKey is QTHSHIAAKJRKFN-VHIDFVOUSA-N. The full InChI is InChI=1S/C22H20F2N6/c23-18-6-17-21(7-19(18)24)28-12-29-22(17)30-4-3-20-14(11-30)5-13(9-27-20)15(8-25)10-26-16-1-2-16/h5-10,12,16H,1-4,11,25H2/b15-8+,26-10+.
What are the key properties of (Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine?
(Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine has a molecular weight of 406.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropylimino-2-[6-(6,7-difluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]prop-1-en-1-amine is sourced from PubChem (CID 176600452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).