2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium

C20H21FN3O3+ — CID 126957949

IUPAC2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium
SMILESC1COCC[NH2+]1.N#CC1=C(N)Oc2cc(O)ccc2C1c1ccccc1F
InChIInChI=1S/C16H11FN2O2.C4H9NO/c17-13-4-2-1-3-10(13)15-11-6-5-9(20)7-14(11)21-16(19)12(15)8-18;1-3-6-4-2-5-1/h1-7,15,20H,19H2;5H,1-4H2/p+1
InChIKeyGQGAMHNGPMGDEE-UHFFFAOYSA-O
MW370.40 g/mol
LogP1.33
Rot. Bonds1

About 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium

2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium (PubChem CID 126957949) has the molecular formula C20H21FN3O3+ and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium.

Molecular Properties

Compound Name2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium
PubChem CID126957949
Molecular FormulaC20H21FN3O3+
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium
SMILESC1COCC[NH2+]1.N#CC1=C(N)Oc2cc(O)ccc2C1c1ccccc1F
InChIInChI=1S/C16H11FN2O2.C4H9NO/c17-13-4-2-1-3-10(13)15-11-6-5-9(20)7-14(11)21-16(19)12(15)8-18;1-3-6-4-2-5-1/h1-7,15,20H,19H2;5H,1-4H2/p+1
InChIKeyGQGAMHNGPMGDEE-UHFFFAOYSA-O
XLogP1.33
TPSA105.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-amino-6-chloro-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 791387
(4S)-2-amino-4-(2-chloro-6-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 8613693
(4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
CID 1006176
(4R)-2,6-diamino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
CID 902357
2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile
CID 102204745
(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile
CID 752580
2-amino-7-hydroxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 4678187
(4R)-2-amino-4-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carbonitrile
CID 126144315
(4R)-2-amino-4-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carbonitrile
CID 1003712
2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2837584
(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 766183
2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 2835001

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium?
The IUPAC name of 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium (CID 126957949) is 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium.
What is the SMILES notation for 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium?
The canonical SMILES for 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium is C1COCC[NH2+]1.N#CC1=C(N)Oc2cc(O)ccc2C1c1ccccc1F.
What is the InChIKey of 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium?
The InChIKey is GQGAMHNGPMGDEE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H11FN2O2.C4H9NO/c17-13-4-2-1-3-10(13)15-11-6-5-9(20)7-14(11)21-16(19)12(15)8-18;1-3-6-4-2-5-1/h1-7,15,20H,19H2;5H,1-4H2/p+1.
What are the key properties of 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium?
2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium has a molecular weight of 370.40 g/mol, XLogP of 1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium is sourced from PubChem (CID 126957949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).