N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide

C24H29N5O3 — CID 69318526

IUPACN-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1ncc[nH]1)C(=O)NCc1cnc2ccccc2c1
InChIInChI=1S/C24H29N5O3/c1-2-19(30)9-4-3-5-11-21(29-24(32)22-25-12-13-26-22)23(31)28-16-17-14-18-8-6-7-10-20(18)27-15-17/h6-8,10,12-15,21H,2-5,9,11,16H2,1H3,(H,25,26)(H,28,31)(H,29,32)/t21-/m0/s1
InChIKeyHZPZWBXMVHXFBV-NRFANRHFSA-N
MW435.53 g/mol
LogP3.30
Rot. Bonds12

About N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide

N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide (PubChem CID 69318526) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide
PubChem CID69318526
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1ncc[nH]1)C(=O)NCc1cnc2ccccc2c1
InChIInChI=1S/C24H29N5O3/c1-2-19(30)9-4-3-5-11-21(29-24(32)22-25-12-13-26-22)23(31)28-16-17-14-18-8-6-7-10-20(18)27-15-17/h6-8,10,12-15,21H,2-5,9,11,16H2,1H3,(H,25,26)(H,28,31)(H,29,32)/t21-/m0/s1
InChIKeyHZPZWBXMVHXFBV-NRFANRHFSA-N
XLogP3.30
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide (CID 69318526) is N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)c1ncc[nH]1)C(=O)NCc1cnc2ccccc2c1.
What is the InChIKey of N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide?
The InChIKey is HZPZWBXMVHXFBV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-2-19(30)9-4-3-5-11-21(29-24(32)22-25-12-13-26-22)23(31)28-16-17-14-18-8-6-7-10-20(18)27-15-17/h6-8,10,12-15,21H,2-5,9,11,16H2,1H3,(H,25,26)(H,28,31)(H,29,32)/t21-/m0/s1.
What are the key properties of N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide?
N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.30, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,8-dioxo-1-(quinolin-3-ylmethylamino)decan-2-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 69318526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).