N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide

C24H25N7O3 — CID 650935

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cnc4ccccc4c3)n2)o1
InChIInChI=1S/C24H25N7O3/c1-16-10-11-21(34-16)24-27-29-31(28-24)15-23(33)30(14-22(32)26-18-7-3-4-8-18)19-12-17-6-2-5-9-20(17)25-13-19/h2,5-6,9-13,18H,3-4,7-8,14-15H2,1H3,(H,26,32)
InChIKeyYVTUSNXYDZMGGT-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide (PubChem CID 650935) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
PubChem CID650935
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cnc4ccccc4c3)n2)o1
InChIInChI=1S/C24H25N7O3/c1-16-10-11-21(34-16)24-27-29-31(28-24)15-23(33)30(14-22(32)26-18-7-3-4-8-18)19-12-17-6-2-5-9-20(17)25-13-19/h2,5-6,9-13,18H,3-4,7-8,14-15H2,1H3,(H,26,32)
InChIKeyYVTUSNXYDZMGGT-UHFFFAOYSA-N
XLogP2.88
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(Benzyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-N-cyclopentyl-2-pyridin-4-yl-acetamide
CID 644684
2-[5-(5-Methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-8-yl-acetamide
CID 653212
N-Cyclohexylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 655643
N-Cyclopentyl-2-((2-fluoro-benzyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180457
N-Cyclopentyl-2-((4-fluoro-benzyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180459
N-Cyclopentyl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-p-tolyl-amino)-2-pyridin-4-yl-acetamide
CID 3180486
N-Cyclopentyl-2-((2-methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180509
N-(Isopropylcarbamoyl-methyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 653591
N-Cyclopentyl-2-((2-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180498
2-(Benzyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-N-tert-butyl-2-pyridin-4-yl-acetamide
CID 652485
N-Cyclopentyl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-quinolin-3-yl-amino)-butyramide
CID 655044
N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
CID 3179258

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide (CID 650935) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cnc4ccccc4c3)n2)o1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
The InChIKey is YVTUSNXYDZMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-16-10-11-21(34-16)24-27-29-31(28-24)15-23(33)30(14-22(32)26-18-7-3-4-8-18)19-12-17-6-2-5-9-20(17)25-13-19/h2,5-6,9-13,18H,3-4,7-8,14-15H2,1H3,(H,26,32).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide has a molecular weight of 459.51 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide is sourced from PubChem (CID 650935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).