7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile

C19H20N4O — CID 91569110

IUPAC7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile
SMILES[H]/N=C1\Oc2cc(N(C)C)ccc2C(c2cccc(NC)c2)C1C#N
InChIInChI=1S/C19H20N4O/c1-22-13-6-4-5-12(9-13)18-15-8-7-14(23(2)3)10-17(15)24-19(21)16(18)11-20/h4-10,16,18,21-22H,1-3H3/b21-19-
InChIKeyDHVNYROVQWPBIV-VZCXRCSSSA-N
MW320.40 g/mol
LogP3.44
Rot. Bonds3

About 7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile

7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile (PubChem CID 91569110) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile.

Molecular Properties

Compound Name7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile
PubChem CID91569110
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile
SMILES[H]/N=C1\Oc2cc(N(C)C)ccc2C(c2cccc(NC)c2)C1C#N
InChIInChI=1S/C19H20N4O/c1-22-13-6-4-5-12(9-13)18-15-8-7-14(23(2)3)10-17(15)24-19(21)16(18)11-20/h4-10,16,18,21-22H,1-3H3/b21-19-
InChIKeyDHVNYROVQWPBIV-VZCXRCSSSA-N
XLogP3.44
TPSA72.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile?
The IUPAC name of 7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile (CID 91569110) is 7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile.
What is the SMILES notation for 7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile?
The canonical SMILES for 7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile is [H]/N=C1\Oc2cc(N(C)C)ccc2C(c2cccc(NC)c2)C1C#N.
What is the InChIKey of 7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile?
The InChIKey is DHVNYROVQWPBIV-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-13-6-4-5-12(9-13)18-15-8-7-14(23(2)3)10-17(15)24-19(21)16(18)11-20/h4-10,16,18,21-22H,1-3H3/b21-19-.
What are the key properties of 7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile?
7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-2-imino-4-[3-(methylamino)phenyl]-3,4-dihydrochromene-3-carbonitrile is sourced from PubChem (CID 91569110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).