8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one

C27H41N7O2 — CID 3204404

IUPAC8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N(CCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C27H41N7O2/c1-7-27(5,6)34-25(29-30-31-34)24(19(2)3)33(12-11-32-13-15-36-16-14-32)18-22-17-21-10-8-9-20(4)23(21)28-26(22)35/h8-10,17,19,24H,7,11-16,18H2,1-6H3,(H,28,35)
InChIKeyNMQDZBBZKDDNAW-UHFFFAOYSA-N
MW495.67 g/mol
LogP3.50
Rot. Bonds10

About 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one

8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 3204404) has the molecular formula C27H41N7O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID3204404
Molecular FormulaC27H41N7O2
Molecular Weight495.67 g/mol
Exact Mass495.33
IUPAC Name8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N(CCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C27H41N7O2/c1-7-27(5,6)34-25(29-30-31-34)24(19(2)3)33(12-11-32-13-15-36-16-14-32)18-22-17-21-10-8-9-20(4)23(21)28-26(22)35/h8-10,17,19,24H,7,11-16,18H2,1-6H3,(H,28,35)
InChIKeyNMQDZBBZKDDNAW-UHFFFAOYSA-N
XLogP3.50
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one (CID 3204404) is 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one is CCC(C)(C)n1nnnc1C(C(C)C)N(CCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is NMQDZBBZKDDNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N7O2/c1-7-27(5,6)34-25(29-30-31-34)24(19(2)3)33(12-11-32-13-15-36-16-14-32)18-22-17-21-10-8-9-20(4)23(21)28-26(22)35/h8-10,17,19,24H,7,11-16,18H2,1-6H3,(H,28,35).
What are the key properties of 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one?
8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 495.67 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-morpholin-4-ylethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3204404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).