N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine

C18H14ClN3 — CID 56683447

IUPACN-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
SMILESClc1cccc(CNc2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C18H14ClN3/c19-13-5-3-4-12(10-13)11-21-18-17-15(8-9-20-18)14-6-1-2-7-16(14)22-17/h1-10,22H,11H2,(H,20,21)
InChIKeyMXIAYYMQZFSLAW-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.98
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine

N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine (PubChem CID 56683447) has the molecular formula C18H14ClN3 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
PubChem CID56683447
Molecular FormulaC18H14ClN3
Molecular Weight307.78 g/mol
Exact Mass307.09
IUPAC NameN-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
SMILESClc1cccc(CNc2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C18H14ClN3/c19-13-5-3-4-12(10-13)11-21-18-17-15(8-9-20-18)14-6-1-2-7-16(14)22-17/h1-10,22H,11H2,(H,20,21)
InChIKeyMXIAYYMQZFSLAW-UHFFFAOYSA-N
XLogP4.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine (CID 56683447) is N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine is Clc1cccc(CNc2nccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
The InChIKey is MXIAYYMQZFSLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3/c19-13-5-3-4-12(10-13)11-21-18-17-15(8-9-20-18)14-6-1-2-7-16(14)22-17/h1-10,22H,11H2,(H,20,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine has a molecular weight of 307.78 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine is sourced from PubChem (CID 56683447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).