N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C22H26N6O2 — CID 97124510

IUPACN-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C22H26N6O2/c1-22(2)9-16(25-19(29)18-12-24-21(30)27-18)15-11-23-20(26-17(15)10-22)28(3)13-14-7-5-4-6-8-14/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,25,29)(H2,24,27,30)/t16-/m1/s1
InChIKeyXFKPOXKKSYQFJU-MRXNPFEDSA-N
MW406.49 g/mol
LogP2.57
Rot. Bonds5

About N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 97124510) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID97124510
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C22H26N6O2/c1-22(2)9-16(25-19(29)18-12-24-21(30)27-18)15-11-23-20(26-17(15)10-22)28(3)13-14-7-5-4-6-8-14/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,25,29)(H2,24,27,30)/t16-/m1/s1
InChIKeyXFKPOXKKSYQFJU-MRXNPFEDSA-N
XLogP2.57
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5S)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 97123124
(5S)-2-N-benzyl-2-N,7,7-trimethyl-5-N-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazoline-2,5-diamine
CID 26407119
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide
CID 97117496
5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109189250
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(methoxymethyl)benzamide
CID 110238786
5-[benzyl(methyl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179860
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide
CID 110237895
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110237898
N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide
CID 45241281
N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide
CID 42302158
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 97124510) is N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is XFKPOXKKSYQFJU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-22(2)9-16(25-19(29)18-12-24-21(30)27-18)15-11-23-20(26-17(15)10-22)28(3)13-14-7-5-4-6-8-14/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,25,29)(H2,24,27,30)/t16-/m1/s1.
What are the key properties of N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 97124510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).