N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C22H24N6O2 — CID 92583090

IUPACN-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)c2noc3c2CCCC3)C1
InChIInChI=1S/C22H24N6O2/c1-22(2)9-15-14(11-25-20(26-15)17-12-23-7-8-24-17)16(10-22)27-21(29)19-13-5-3-4-6-18(13)30-28-19/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,27,29)/t16-/m0/s1
InChIKeyIZHOVIMUODGIAE-INIZCTEOSA-N
MW404.47 g/mol
LogP3.24
Rot. Bonds3

About N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 92583090) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID92583090
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)c2noc3c2CCCC3)C1
InChIInChI=1S/C22H24N6O2/c1-22(2)9-15-14(11-25-20(26-15)17-12-23-7-8-24-17)16(10-22)27-21(29)19-13-5-3-4-6-18(13)30-28-19/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,27,29)/t16-/m0/s1
InChIKeyIZHOVIMUODGIAE-INIZCTEOSA-N
XLogP3.24
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110245577
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(methoxymethyl)benzamide
CID 110238786
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)butanamide
CID 110238760
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide
CID 110238924
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide
CID 110238804
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide
CID 110238798
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)oxolane-3-carboxamide
CID 110238779
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 110238785
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide
CID 110237738
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide
CID 110237676
N-(7,7-dimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-piperidin-1-ylacetamide
CID 110237820
N-(2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 59159975

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 92583090) is N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)c2noc3c2CCCC3)C1.
What is the InChIKey of N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is IZHOVIMUODGIAE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-22(2)9-15-14(11-25-20(26-15)17-12-23-7-8-24-17)16(10-22)27-21(29)19-13-5-3-4-6-18(13)30-28-19/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,27,29)/t16-/m0/s1.
What are the key properties of N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 92583090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).