N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide

C26H29N7O3 — CID 655044

IUPACN-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cnc2ccccc2c1
InChIInChI=1S/C26H29N7O3/c1-3-22(26(35)28-19-9-5-6-10-19)33(20-14-18-8-4-7-11-21(18)27-15-20)24(34)16-32-30-25(29-31-32)23-13-12-17(2)36-23/h4,7-8,11-15,19,22H,3,5-6,9-10,16H2,1-2H3,(H,28,35)
InChIKeyDEVYNCLFJSDHLT-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.66
Rot. Bonds8

About N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide

N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide (PubChem CID 655044) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide
PubChem CID655044
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC NameN-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cnc2ccccc2c1
InChIInChI=1S/C26H29N7O3/c1-3-22(26(35)28-19-9-5-6-10-19)33(20-14-18-8-4-7-11-21(18)27-15-20)24(34)16-32-30-25(29-31-32)23-13-12-17(2)36-23/h4,7-8,11-15,19,22H,3,5-6,9-10,16H2,1-2H3,(H,28,35)
InChIKeyDEVYNCLFJSDHLT-UHFFFAOYSA-N
XLogP3.66
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide?
The IUPAC name of N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide (CID 655044) is N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide is CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cnc2ccccc2c1.
What is the InChIKey of N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide?
The InChIKey is DEVYNCLFJSDHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-3-22(26(35)28-19-9-5-6-10-19)33(20-14-18-8-4-7-11-21(18)27-15-20)24(34)16-32-30-25(29-31-32)23-13-12-17(2)36-23/h4,7-8,11-15,19,22H,3,5-6,9-10,16H2,1-2H3,(H,28,35).
What are the key properties of N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide?
N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide has a molecular weight of 487.56 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide is sourced from PubChem (CID 655044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).