8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine

C15H19ClN4O — CID 20922967

IUPAC8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine
SMILESClc1cccc2c(NCCCN3CCOCC3)cnnc12
InChIInChI=1S/C15H19ClN4O/c16-13-4-1-3-12-14(11-18-19-15(12)13)17-5-2-6-20-7-9-21-10-8-20/h1,3-4,11H,2,5-10H2,(H,17,19)
InChIKeyCVLXDNCMURLKPC-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.42
Rot. Bonds5

About 8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine

8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine (PubChem CID 20922967) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine
PubChem CID20922967
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine
SMILESClc1cccc2c(NCCCN3CCOCC3)cnnc12
InChIInChI=1S/C15H19ClN4O/c16-13-4-1-3-12-14(11-18-19-15(12)13)17-5-2-6-20-7-9-21-10-8-20/h1,3-4,11H,2,5-10H2,(H,17,19)
InChIKeyCVLXDNCMURLKPC-UHFFFAOYSA-N
XLogP2.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
CID 43449552
3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine
CID 118728376
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65498984
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256
5-N-(3-chloro-2-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945342
N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine
CID 63587707
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine?
The IUPAC name of 8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine (CID 20922967) is 8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine.
What is the SMILES notation for 8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine?
The canonical SMILES for 8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine is Clc1cccc2c(NCCCN3CCOCC3)cnnc12.
What is the InChIKey of 8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine?
The InChIKey is CVLXDNCMURLKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c16-13-4-1-3-12-14(11-18-19-15(12)13)17-5-2-6-20-7-9-21-10-8-20/h1,3-4,11H,2,5-10H2,(H,17,19).
What are the key properties of 8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine?
8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine has a molecular weight of 306.80 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine is sourced from PubChem (CID 20922967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).