N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine

C14H13N3 — CID 66408480

IUPACN-(1H-pyrrol-3-ylmethyl)quinolin-8-amine
SMILESc1cnc2c(NCc3cc[nH]c3)cccc2c1
InChIInChI=1S/C14H13N3/c1-3-12-4-2-7-16-14(12)13(5-1)17-10-11-6-8-15-9-11/h1-9,15,17H,10H2
InChIKeyCVGQGJPWQRBIOS-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.17
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine

N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine (PubChem CID 66408480) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)quinolin-8-amine
PubChem CID66408480
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC NameN-(1H-pyrrol-3-ylmethyl)quinolin-8-amine
SMILESc1cnc2c(NCc3cc[nH]c3)cccc2c1
InChIInChI=1S/C14H13N3/c1-3-12-4-2-7-16-14(12)13(5-1)17-10-11-6-8-15-9-11/h1-9,15,17H,10H2
InChIKeyCVGQGJPWQRBIOS-UHFFFAOYSA-N
XLogP3.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
N-[(4-heptylphenyl)methyl]quinolin-8-amine
CID 71429498
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 62749451
N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinolin-8-amine
CID 43663459
N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]quinolin-8-amine
CID 3010304
N-[(5-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 81311378
N-(3,3-dimethylbutyl)quinolin-8-amine
CID 62965994
N-[(3-methylfuran-2-yl)methyl]quinolin-8-amine
CID 113268147
N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine
CID 112739609
2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
CID 115904886

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine (CID 66408480) is N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine is c1cnc2c(NCc3cc[nH]c3)cccc2c1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine?
The InChIKey is CVGQGJPWQRBIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-3-12-4-2-7-16-14(12)13(5-1)17-10-11-6-8-15-9-11/h1-9,15,17H,10H2.
What are the key properties of N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine?
N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine has a molecular weight of 223.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine is sourced from PubChem (CID 66408480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).