N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide

C26H42N4O3 — CID 3647553

IUPACN-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
SMILESCCCCCCC(=O)N(CCCCCCN)C(C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C26H42N4O3/c1-4-5-6-9-16-24(31)29(18-13-8-7-12-17-27)21(2)25-28-23-15-11-10-14-22(23)26(32)30(25)19-20-33-3/h10-11,14-15,21H,4-9,12-13,16-20,27H2,1-3H3
InChIKeyNQJULYHHEPCYHY-UHFFFAOYSA-N
MW458.65 g/mol
LogP4.42
Rot. Bonds16

About N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide

N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide (PubChem CID 3647553) has the molecular formula C26H42N4O3 and a molecular weight of 458.65 g/mol. Its IUPAC name is N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
PubChem CID3647553
Molecular FormulaC26H42N4O3
Molecular Weight458.65 g/mol
Exact Mass458.33
IUPAC NameN-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
SMILESCCCCCCC(=O)N(CCCCCCN)C(C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C26H42N4O3/c1-4-5-6-9-16-24(31)29(18-13-8-7-12-17-27)21(2)25-28-23-15-11-10-14-22(23)26(32)30(25)19-20-33-3/h10-11,14-15,21H,4-9,12-13,16-20,27H2,1-3H3
InChIKeyNQJULYHHEPCYHY-UHFFFAOYSA-N
XLogP4.42
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)pentanamide
CID 42716734
N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide
CID 42715420
N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
CID 93105333
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)nonanamide
CID 42727899
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide
CID 42717618
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42715926
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721398

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide?
The IUPAC name of N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide (CID 3647553) is N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide.
What is the SMILES notation for N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide?
The canonical SMILES for N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide is CCCCCCC(=O)N(CCCCCCN)C(C)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide?
The InChIKey is NQJULYHHEPCYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O3/c1-4-5-6-9-16-24(31)29(18-13-8-7-12-17-27)21(2)25-28-23-15-11-10-14-22(23)26(32)30(25)19-20-33-3/h10-11,14-15,21H,4-9,12-13,16-20,27H2,1-3H3.
What are the key properties of N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide?
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide has a molecular weight of 458.65 g/mol, XLogP of 4.42, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide is sourced from PubChem (CID 3647553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).