N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide

C20H29ClN4O3 — CID 3334969

IUPACN-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)N(CCCCCCN)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C20H29ClN4O3/c1-14(25(18(26)13-28-3)11-7-5-4-6-10-22)19-23-17-12-15(21)8-9-16(17)20(27)24(19)2/h8-9,12,14H,4-7,10-11,13,22H2,1-3H3
InChIKeyFRAXGBDVMUZQFE-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.64
Rot. Bonds10

About N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide

N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide (PubChem CID 3334969) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide
PubChem CID3334969
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC NameN-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)N(CCCCCCN)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C20H29ClN4O3/c1-14(25(18(26)13-28-3)11-7-5-4-6-10-22)19-23-17-12-15(21)8-9-16(17)20(27)24(19)2/h8-9,12,14H,4-7,10-11,13,22H2,1-3H3
InChIKeyFRAXGBDVMUZQFE-UHFFFAOYSA-N
XLogP2.64
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.64
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-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
N-(6-aminohexyl)-2-bromo-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 5115824
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)hexanamide
CID 42728261
N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 4666240
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide
CID 42728218
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide
CID 42712301
4-chloro-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42712263
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]heptanamide
CID 42714938
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide
CID 42712294
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide
CID 42728268
3-bromo-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42728275
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide?
The IUPAC name of N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide (CID 3334969) is N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide is COCC(=O)N(CCCCCCN)C(C)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide?
The InChIKey is FRAXGBDVMUZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O3/c1-14(25(18(26)13-28-3)11-7-5-4-6-10-22)19-23-17-12-15(21)8-9-16(17)20(27)24(19)2/h8-9,12,14H,4-7,10-11,13,22H2,1-3H3.
What are the key properties of N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide?
N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide has a molecular weight of 408.93 g/mol, XLogP of 2.64, 10 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-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 3334969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).