N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide

C28H30ClN5O2 — CID 161124941

IUPACN-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide
SMILESCC(=O)N(CCN(C)CCN(C(C)=O)c1ccnc2cc(Cl)ccc12)c1ccnc2cc(C)ccc12
InChIInChI=1S/C28H30ClN5O2/c1-19-5-7-23-25(17-19)30-11-9-27(23)33(20(2)35)15-13-32(4)14-16-34(21(3)36)28-10-12-31-26-18-22(29)6-8-24(26)28/h5-12,17-18H,13-16H2,1-4H3
InChIKeyPQYABCMTTHSMQU-UHFFFAOYSA-N
MW504.03 g/mol
LogP5.08
Rot. Bonds8

About N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide

N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide (PubChem CID 161124941) has the molecular formula C28H30ClN5O2 and a molecular weight of 504.03 g/mol. Its IUPAC name is N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide
PubChem CID161124941
Molecular FormulaC28H30ClN5O2
Molecular Weight504.03 g/mol
Exact Mass503.21
IUPAC NameN-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide
SMILESCC(=O)N(CCN(C)CCN(C(C)=O)c1ccnc2cc(Cl)ccc12)c1ccnc2cc(C)ccc12
InChIInChI=1S/C28H30ClN5O2/c1-19-5-7-23-25(17-19)30-11-9-27(23)33(20(2)35)15-13-32(4)14-16-34(21(3)36)28-10-12-31-26-18-22(29)6-8-24(26)28/h5-12,17-18H,13-16H2,1-4H3
InChIKeyPQYABCMTTHSMQU-UHFFFAOYSA-N
XLogP5.08
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.03
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 20753586
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine
CID 160577871
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
N'-[[[(7-chloroquinolin-4-yl)amino]methyl-methylamino]methoxymethyl]-N'-methyl-N-(7-methylquinolin-4-yl)methanediamine
CID 155731585
1-(7-chloroquinolin-4-yl)propan-1-one
CID 139684148
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202
7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine
CID 114242626

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide?
The IUPAC name of N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide (CID 161124941) is N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide.
What is the SMILES notation for N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide?
The canonical SMILES for N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide is CC(=O)N(CCN(C)CCN(C(C)=O)c1ccnc2cc(Cl)ccc12)c1ccnc2cc(C)ccc12.
What is the InChIKey of N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide?
The InChIKey is PQYABCMTTHSMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O2/c1-19-5-7-23-25(17-19)30-11-9-27(23)33(20(2)35)15-13-32(4)14-16-34(21(3)36)28-10-12-31-26-18-22(29)6-8-24(26)28/h5-12,17-18H,13-16H2,1-4H3.
What are the key properties of N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide?
N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide has a molecular weight of 504.03 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide is sourced from PubChem (CID 161124941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).