N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide

C27H29N3O5 — CID 69375269

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide
SMILESCOc1cccc(C(=O)c2cc(C(=O)NCCOCCOCCN)c3ccc4ccccc4n23)c1
InChIInChI=1S/C27H29N3O5/c1-33-21-7-4-6-20(17-21)26(31)25-18-22(27(32)29-12-14-35-16-15-34-13-11-28)24-10-9-19-5-2-3-8-23(19)30(24)25/h2-10,17-18H,11-16,28H2,1H3,(H,29,32)
InChIKeyVXALCTOIZQZOCH-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.05
Rot. Bonds12

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide (PubChem CID 69375269) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide
PubChem CID69375269
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide
SMILESCOc1cccc(C(=O)c2cc(C(=O)NCCOCCOCCN)c3ccc4ccccc4n23)c1
InChIInChI=1S/C27H29N3O5/c1-33-21-7-4-6-20(17-21)26(31)25-18-22(27(32)29-12-14-35-16-15-34-13-11-28)24-10-9-19-5-2-3-8-23(19)30(24)25/h2-10,17-18H,11-16,28H2,1H3,(H,29,32)
InChIKeyVXALCTOIZQZOCH-UHFFFAOYSA-N
XLogP3.05
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
CID 112739190
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[4-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
CID 143583888
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[[4-[(3-methoxyphenyl)methylamino]-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]benzamide
CID 23928860
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[[4-[(4-methoxyphenyl)methylamino]-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]benzamide
CID 23900827

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide (CID 69375269) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide is COc1cccc(C(=O)c2cc(C(=O)NCCOCCOCCN)c3ccc4ccccc4n23)c1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide?
The InChIKey is VXALCTOIZQZOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-33-21-7-4-6-20(17-21)26(31)25-18-22(27(32)29-12-14-35-16-15-34-13-11-28)24-10-9-19-5-2-3-8-23(19)30(24)25/h2-10,17-18H,11-16,28H2,1H3,(H,29,32).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.05, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide is sourced from PubChem (CID 69375269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).