2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile

C20H15N3O — CID 2839244

IUPAC2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(N)ccc2C1c1ccc2ccccc2c1
InChIInChI=1S/C20H15N3O/c21-11-17-19(14-6-5-12-3-1-2-4-13(12)9-14)16-8-7-15(22)10-18(16)24-20(17)23/h1-10,19H,22-23H2
InChIKeyJZJOSVNTFVUQIV-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.64
Rot. Bonds1

About 2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile

2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile (PubChem CID 2839244) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile
PubChem CID2839244
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(N)ccc2C1c1ccc2ccccc2c1
InChIInChI=1S/C20H15N3O/c21-11-17-19(14-6-5-12-3-1-2-4-13(12)9-14)16-8-7-15(22)10-18(16)24-20(17)23/h1-10,19H,22-23H2
InChIKeyJZJOSVNTFVUQIV-UHFFFAOYSA-N
XLogP3.64
TPSA85.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,7-diamino-4-(3-bromophenyl)-4H-chromene-3-carbonitrile
CID 2839401
2,7-diamino-4-(4-methylphenyl)-4H-chromene-3-carbonitrile
CID 3118449
2,7-diamino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
CID 2838987
2,7-diamino-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 2839021
2,7-diamino-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 2838911
2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile
CID 3118444
2,7-diamino-4-(2-chlorophenyl)-4H-chromene-3-carbonitrile
CID 2839420
2,7-diamino-4-(2,4-difluorophenyl)-4H-chromene-3-carbonitrile
CID 2839144
2-amino-7-(dimethylamino)-4-(3-methylphenyl)-4H-chromene-3-carbonitrile
CID 9966274
2-Amino-7-(dimethylamino)-4-(4-(dimethylamino)naphthalen-1-yl)-4H-chromene-3-carbonitrile
CID 53357723
2,7-diamino-4-(4-chlorophenyl)-4H-chromene-3-carbonitrile
CID 2839553
2,7-Diamino-4-phenyl-4H-chromene-3-carbonitrile
CID 2838837

Frequently Asked Questions

What is the IUPAC name of 2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile?
The IUPAC name of 2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile (CID 2839244) is 2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile?
The canonical SMILES for 2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2cc(N)ccc2C1c1ccc2ccccc2c1.
What is the InChIKey of 2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile?
The InChIKey is JZJOSVNTFVUQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-11-17-19(14-6-5-12-3-1-2-4-13(12)9-14)16-8-7-15(22)10-18(16)24-20(17)23/h1-10,19H,22-23H2.
What are the key properties of 2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile?
2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile has a molecular weight of 313.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diamino-4-naphthalen-2-yl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 2839244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).