(5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate

C22H24N4O3 — CID 155590797

IUPAC(5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate
SMILESCn1cnc2cc(NC(=O)OCc3ccc(C4CCCCC4)cn3)ccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-26-14-24-20-11-17(9-10-19(20)21(26)27)25-22(28)29-13-18-8-7-16(12-23-18)15-5-3-2-4-6-15/h7-12,14-15H,2-6,13H2,1H3,(H,25,28)
InChIKeyLIUNMDNGRZKIPQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.12
Rot. Bonds4

About (5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate

(5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate (PubChem CID 155590797) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate.

Molecular Properties

Compound Name(5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate
PubChem CID155590797
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate
SMILESCn1cnc2cc(NC(=O)OCc3ccc(C4CCCCC4)cn3)ccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-26-14-24-20-11-17(9-10-19(20)21(26)27)25-22(28)29-13-18-8-7-16(12-23-18)15-5-3-2-4-6-15/h7-12,14-15H,2-6,13H2,1H3,(H,25,28)
InChIKeyLIUNMDNGRZKIPQ-UHFFFAOYSA-N
XLogP4.12
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(5-cyclohexyl-2-pyridinyl)methylamino]-2-methylisoquinolin-1-one
CID 165152901
benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate
CID 25157579
3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one
CID 142210275
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 134697033
5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 135241712
6-[(5-cyclohexyl-2-pyridinyl)methylamino]-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one
CID 153301461
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896770
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
6-fluoro-N-(3-methyl-4-oxoquinazolin-7-yl)naphthalene-1-carboxamide
CID 167968893
2-[[(3-methyl-4-oxoquinazolin-7-yl)amino]methylidene]propanedinitrile
CID 167938945
1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea
CID 162429447

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate?
The IUPAC name of (5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate (CID 155590797) is (5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate.
What is the SMILES notation for (5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate?
The canonical SMILES for (5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate is Cn1cnc2cc(NC(=O)OCc3ccc(C4CCCCC4)cn3)ccc2c1=O.
What is the InChIKey of (5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate?
The InChIKey is LIUNMDNGRZKIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-26-14-24-20-11-17(9-10-19(20)21(26)27)25-22(28)29-13-18-8-7-16(12-23-18)15-5-3-2-4-6-15/h7-12,14-15H,2-6,13H2,1H3,(H,25,28).
What are the key properties of (5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate?
(5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate has a molecular weight of 392.46 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate is sourced from PubChem (CID 155590797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).