(Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine

C25H24N6O — CID 134446481

IUPAC(Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1nccc2c(-c3cncc4ccccc34)cc(N3CCOC[C@H]3C)nc12
InChIInChI=1S/C25H24N6O/c1-16-15-32-11-10-31(16)23-12-20(21-14-28-13-17-4-2-3-5-18(17)21)19-7-9-29-25(24(19)30-23)22(27)6-8-26/h2-9,12-14,16,26H,10-11,15,27H2,1H3/b22-6-,26-8+/t16-/m1/s1
InChIKeyDMJKZNCOLKQXJH-SINZNFBGSA-N
MW424.51 g/mol
LogP4.02
Rot. Bonds4

About (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine

(Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine (PubChem CID 134446481) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
PubChem CID134446481
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name(Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1nccc2c(-c3cncc4ccccc34)cc(N3CCOC[C@H]3C)nc12
InChIInChI=1S/C25H24N6O/c1-16-15-32-11-10-31(16)23-12-20(21-14-28-13-17-4-2-3-5-18(17)21)19-7-9-29-25(24(19)30-23)22(27)6-8-26/h2-9,12-14,16,26H,10-11,15,27H2,1H3/b22-6-,26-8+/t16-/m1/s1
InChIKeyDMJKZNCOLKQXJH-SINZNFBGSA-N
XLogP4.02
TPSA101.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 146555770
(Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 146556208
2-[8-[(Z)-1-amino-3-iminoprop-1-enyl]-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-4-yl]-3,3-dimethylbutan-2-ol
CID 126486717
(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446601
(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-piperidin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446678
(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 145012198
(Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 174290634
4-[4-isoquinolin-4-yl-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230357
[1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium
CID 148903429
[3-amino-3-[4-(1-azaniumylidene-2-cyclopropyl-2-hydrazinylideneethyl)-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]prop-2-enylidene]azanium
CID 163665340
4-[4-(6-fluoro-2-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446437
3-fluoro-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 155648481

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine (CID 134446481) is (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine is [H]/N=C/C=C(\N)c1nccc2c(-c3cncc4ccccc34)cc(N3CCOC[C@H]3C)nc12.
What is the InChIKey of (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
The InChIKey is DMJKZNCOLKQXJH-SINZNFBGSA-N. The full InChI is InChI=1S/C25H24N6O/c1-16-15-32-11-10-31(16)23-12-20(21-14-28-13-17-4-2-3-5-18(17)21)19-7-9-29-25(24(19)30-23)22(27)6-8-26/h2-9,12-14,16,26H,10-11,15,27H2,1H3/b22-6-,26-8+/t16-/m1/s1.
What are the key properties of (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?
(Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine has a molecular weight of 424.51 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine is sourced from PubChem (CID 134446481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).