(1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile

C24H16N2O — CID 689158

IUPAC(1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C24H16N2O/c25-14-20-22(19-11-5-8-15-6-1-3-9-17(15)19)23-18-10-4-2-7-16(18)12-13-21(23)27-24(20)26/h1-13,22H,26H2/t22-/m1/s1
InChIKeyQEFTVTCOHNHUPX-JOCHJYFZSA-N
MW348.41 g/mol
LogP5.21
Rot. Bonds1

About (1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile

(1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile (PubChem CID 689158) has the molecular formula C24H16N2O and a molecular weight of 348.41 g/mol. Its IUPAC name is (1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile.

Molecular Properties

Compound Name(1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile
PubChem CID689158
Molecular FormulaC24H16N2O
Molecular Weight348.41 g/mol
Exact Mass348.13
IUPAC Name(1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C24H16N2O/c25-14-20-22(19-11-5-8-15-6-1-3-9-17(15)19)23-18-10-4-2-7-16(18)12-13-21(23)27-24(20)26/h1-13,22H,26H2/t22-/m1/s1
InChIKeyQEFTVTCOHNHUPX-JOCHJYFZSA-N
XLogP5.21
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 675919
(1R)-3-amino-1-(2,3-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 8613806
(1S)-3-amino-1-(2-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968492
(1S)-3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 818621
3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 613563
(1S)-3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 689413
(1S)-3-amino-1-(3-bromophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 6989223
(1S)-3-amino-1-thiophen-2-yl-1H-benzo[f]chromene-2-carbonitrile
CID 968497
3-amino-1-(1,3-benzodioxol-5-yl)-1H-benzo[f]chromene-2-carbonitrile
CID 4632257
3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
CID 2839492
(1S)-3-amino-1-(4-methylsulfanylphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968484
(1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile
CID 124672186

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile?
The IUPAC name of (1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile (CID 689158) is (1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile.
What is the SMILES notation for (1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile?
The canonical SMILES for (1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile is N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccc2ccccc12.
What is the InChIKey of (1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile?
The InChIKey is QEFTVTCOHNHUPX-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H16N2O/c25-14-20-22(19-11-5-8-15-6-1-3-9-17(15)19)23-18-10-4-2-7-16(18)12-13-21(23)27-24(20)26/h1-13,22H,26H2/t22-/m1/s1.
What are the key properties of (1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile?
(1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile has a molecular weight of 348.41 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile is sourced from PubChem (CID 689158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).