N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine

C21H18N4 — CID 68629723

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine
SMILESc1ccc2c(c1)CC[C@H]2Nc1ccc2cc(-c3ncc[nH]3)ccc2n1
InChIInChI=1S/C21H18N4/c1-2-4-17-14(3-1)5-9-19(17)25-20-10-7-15-13-16(6-8-18(15)24-20)21-22-11-12-23-21/h1-4,6-8,10-13,19H,5,9H2,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKeySBXDGUDJHNPNQS-LJQANCHMSA-N
MW326.40 g/mol
LogP4.72
Rot. Bonds3

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine (PubChem CID 68629723) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine
PubChem CID68629723
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine
SMILESc1ccc2c(c1)CC[C@H]2Nc1ccc2cc(-c3ncc[nH]3)ccc2n1
InChIInChI=1S/C21H18N4/c1-2-4-17-14(3-1)5-9-19(17)25-20-10-7-15-13-16(6-8-18(15)24-20)21-22-11-12-23-21/h1-4,6-8,10-13,19H,5,9H2,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKeySBXDGUDJHNPNQS-LJQANCHMSA-N
XLogP4.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine (CID 68629723) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine is c1ccc2c(c1)CC[C@H]2Nc1ccc2cc(-c3ncc[nH]3)ccc2n1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine?
The InChIKey is SBXDGUDJHNPNQS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18N4/c1-2-4-17-14(3-1)5-9-19(17)25-20-10-7-15-13-16(6-8-18(15)24-20)21-22-11-12-23-21/h1-4,6-8,10-13,19H,5,9H2,(H,22,23)(H,24,25)/t19-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(1H-imidazol-2-yl)quinolin-2-amine is sourced from PubChem (CID 68629723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).