7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine

C24H30ClN5 — CID 16718994

IUPAC7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine
SMILESCc1cc(CNCC23CCCN2CCC3)c(C)n1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H30ClN5/c1-17-13-19(15-26-16-24-8-3-11-29(24)12-4-9-24)18(2)30(17)28-22-7-10-27-23-14-20(25)5-6-21(22)23/h5-7,10,13-14,26H,3-4,8-9,11-12,15-16H2,1-2H3,(H,27,28)
InChIKeyNOVDJJVMXVITGG-UHFFFAOYSA-N
MW423.99 g/mol
LogP4.90
Rot. Bonds6

About 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine

7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine (PubChem CID 16718994) has the molecular formula C24H30ClN5 and a molecular weight of 423.99 g/mol. Its IUPAC name is 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine
PubChem CID16718994
Molecular FormulaC24H30ClN5
Molecular Weight423.99 g/mol
Exact Mass423.22
IUPAC Name7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine
SMILESCc1cc(CNCC23CCCN2CCC3)c(C)n1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H30ClN5/c1-17-13-19(15-26-16-24-8-3-11-29(24)12-4-9-24)18(2)30(17)28-22-7-10-27-23-14-20(25)5-6-21(22)23/h5-7,10,13-14,26H,3-4,8-9,11-12,15-16H2,1-2H3,(H,27,28)
InChIKeyNOVDJJVMXVITGG-UHFFFAOYSA-N
XLogP4.90
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine with MolForge

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Related Compounds

Ro 41-3118
CID 408190
7-chloro-N-(5-(pyrrolidin-1-yl)pentan-2-yl)quinolin-4-amine
CID 220624
N-(7-chloro-3-methyl-4-quinolyl)-N',N'-diethyl-ethane-1,2-diamine
CID 3796389
Desmethylchloroquine
CID 3811576
7-Chloro-4-[[6-(diethylamino)hexyl]amino]-quinoline
CID 219172
AQ-13 free base
CID 3805581
7-chloro-N-(2-(pyrrolidin-1-yl)ethyl)quinolin-4-amine
CID 9860377
N-(7-chloroquinolin-4-yl)-N-tert-butylethane-1,2-diamine
CID 9882098
2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 9926057
1,2-Ethanediamine, N'-(7-chloro-4-quinolinyl)-N,N-dimethyl-
CID 10014979
N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine
CID 10495907
7-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinolin-4-amine
CID 11645360

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine (CID 16718994) is 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine is Cc1cc(CNCC23CCCN2CCC3)c(C)n1Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine?
The InChIKey is NOVDJJVMXVITGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5/c1-17-13-19(15-26-16-24-8-3-11-29(24)12-4-9-24)18(2)30(17)28-22-7-10-27-23-14-20(25)5-6-21(22)23/h5-7,10,13-14,26H,3-4,8-9,11-12,15-16H2,1-2H3,(H,27,28).
What are the key properties of 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine?
7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine has a molecular weight of 423.99 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine is sourced from PubChem (CID 16718994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).