[4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine

C18H16ClN3 — CID 127038022

IUPAC[4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCN3)cc1
InChIInChI=1S/C18H16ClN3/c19-13-5-6-16-15(9-13)18-14(7-8-21-18)17(22-16)12-3-1-11(10-20)2-4-12/h1-6,9,21H,7-8,10,20H2
InChIKeyWYWTTYYXMZXPHD-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.98
Rot. Bonds2

About [4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine

[4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine (PubChem CID 127038022) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is [4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine
PubChem CID127038022
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name[4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCN3)cc1
InChIInChI=1S/C18H16ClN3/c19-13-5-6-16-15(9-13)18-14(7-8-21-18)17(22-16)12-3-1-11(10-20)2-4-12/h1-6,9,21H,7-8,10,20H2
InChIKeyWYWTTYYXMZXPHD-UHFFFAOYSA-N
XLogP3.98
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine?
The IUPAC name of [4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine (CID 127038022) is [4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine is NCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCN3)cc1.
What is the InChIKey of [4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine?
The InChIKey is WYWTTYYXMZXPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c19-13-5-6-16-15(9-13)18-14(7-8-21-18)17(22-16)12-3-1-11(10-20)2-4-12/h1-6,9,21H,7-8,10,20H2.
What are the key properties of [4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine?
[4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine has a molecular weight of 309.80 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)phenyl]methanamine is sourced from PubChem (CID 127038022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).