N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine

C21H22N4O — CID 108774221

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine
SMILESc1ccc2c(c1)OCCC2Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C21H22N4O/c1-4-10-19-15(7-1)16(11-14-26-19)22-20-21(25-12-5-6-13-25)24-18-9-3-2-8-17(18)23-20/h1-4,7-10,16H,5-6,11-14H2,(H,22,23)
InChIKeyFUDRVVCZWUSRKW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.17
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine

N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine (PubChem CID 108774221) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine
PubChem CID108774221
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine
SMILESc1ccc2c(c1)OCCC2Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C21H22N4O/c1-4-10-19-15(7-1)16(11-14-26-19)22-20-21(25-12-5-6-13-25)24-18-9-3-2-8-17(18)23-20/h1-4,7-10,16H,5-6,11-14H2,(H,22,23)
InChIKeyFUDRVVCZWUSRKW-UHFFFAOYSA-N
XLogP4.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate
CID 108774216
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine
CID 108777137
N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108773175
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 115474076
N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine
CID 114598832
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
2-(oxan-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 126766134
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80801156
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 80826648

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine (CID 108774221) is N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine is c1ccc2c(c1)OCCC2Nc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine?
The InChIKey is FUDRVVCZWUSRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-10-19-15(7-1)16(11-14-26-19)22-20-21(25-12-5-6-13-25)24-18-9-3-2-8-17(18)23-20/h1-4,7-10,16H,5-6,11-14H2,(H,22,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine is sourced from PubChem (CID 108774221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).