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

C25H27N7O3 — CID 655643

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cnc4ccccc4c3)n2)o1
InChIInChI=1S/C25H27N7O3/c1-17-11-12-22(35-17)25-28-30-32(29-25)16-24(34)31(15-23(33)27-19-8-3-2-4-9-19)20-13-18-7-5-6-10-21(18)26-14-20/h5-7,10-14,19H,2-4,8-9,15-16H2,1H3,(H,27,33)
InChIKeyVPMMWBBMXBIXLD-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.27
Rot. Bonds7

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

N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide (PubChem CID 655643) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
PubChem CID655643
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cnc4ccccc4c3)n2)o1
InChIInChI=1S/C25H27N7O3/c1-17-11-12-22(35-17)25-28-30-32(29-25)16-24(34)31(15-23(33)27-19-8-3-2-4-9-19)20-13-18-7-5-6-10-21(18)26-14-20/h5-7,10-14,19H,2-4,8-9,15-16H2,1H3,(H,27,33)
InChIKeyVPMMWBBMXBIXLD-UHFFFAOYSA-N
XLogP3.27
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.27
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-[(2-Benzotriazol-1-yl-acetyl)-m-tolyl-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 645895
2-[(2-Benzotriazol-1-yl-acetyl)-(2,5-dimethyl-phenyl)-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 647558
2-[(2-Benzotriazol-1-yl-acetyl)-(2,3-dimethyl-phenyl)-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 649415
2-[5-(5-Methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-8-yl-acetamide
CID 653212
2-[(2-Benzotriazol-1-yl-acetyl)-(2-cyclohex-1-enyl-ethyl)-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 654463
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide (CID 655643) is N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cnc4ccccc4c3)n2)o1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
The InChIKey is VPMMWBBMXBIXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-17-11-12-22(35-17)25-28-30-32(29-25)16-24(34)31(15-23(33)27-19-8-3-2-4-9-19)20-13-18-7-5-6-10-21(18)26-14-20/h5-7,10-14,19H,2-4,8-9,15-16H2,1H3,(H,27,33).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide has a molecular weight of 473.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-3-ylacetamide is sourced from PubChem (CID 655643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).