3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine

C28H34ClN5O — CID 118728376

IUPAC3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine
SMILESClc1cc(NCCCN2CCOCC2)c2cc3c(nc2c1)c1ccccc1n3CCN1CCCC1
InChIInChI=1S/C28H34ClN5O/c29-21-18-24(30-8-5-11-33-14-16-35-17-15-33)23-20-27-28(31-25(23)19-21)22-6-1-2-7-26(22)34(27)13-12-32-9-3-4-10-32/h1-2,6-7,18-20,30H,3-5,8-17H2
InChIKeyLWXYDZSBNRMXDZ-UHFFFAOYSA-N
MW492.07 g/mol
LogP5.23
Rot. Bonds8

About 3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine

3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine (PubChem CID 118728376) has the molecular formula C28H34ClN5O and a molecular weight of 492.07 g/mol. Its IUPAC name is 3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine.

Molecular Properties

Compound Name3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine
PubChem CID118728376
Molecular FormulaC28H34ClN5O
Molecular Weight492.07 g/mol
Exact Mass491.25
IUPAC Name3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine
SMILESClc1cc(NCCCN2CCOCC2)c2cc3c(nc2c1)c1ccccc1n3CCN1CCCC1
InChIInChI=1S/C28H34ClN5O/c29-21-18-24(30-8-5-11-33-14-16-35-17-15-33)23-20-27-28(31-25(23)19-21)22-6-1-2-7-26(22)34(27)13-12-32-9-3-4-10-32/h1-2,6-7,18-20,30H,3-5,8-17H2
InChIKeyLWXYDZSBNRMXDZ-UHFFFAOYSA-N
XLogP5.23
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.07
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine
CID 118728381
8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine
CID 20922967
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
2-chloro-10-(4-morpholin-4-ylbutyl)acridin-9-one
CID 11846559
6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
CID 134696041
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-morpholin-4-yl-2-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 46227112
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine?
The IUPAC name of 3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine (CID 118728376) is 3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine.
What is the SMILES notation for 3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine?
The canonical SMILES for 3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine is Clc1cc(NCCCN2CCOCC2)c2cc3c(nc2c1)c1ccccc1n3CCN1CCCC1.
What is the InChIKey of 3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine?
The InChIKey is LWXYDZSBNRMXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN5O/c29-21-18-24(30-8-5-11-33-14-16-35-17-15-33)23-20-27-28(31-25(23)19-21)22-6-1-2-7-26(22)34(27)13-12-32-9-3-4-10-32/h1-2,6-7,18-20,30H,3-5,8-17H2.
What are the key properties of 3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine?
3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine has a molecular weight of 492.07 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine is sourced from PubChem (CID 118728376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).