carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C65H60ClN19O7 — CID 158497098

About carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 158497098) has the molecular formula C65H60ClN19O7 and a molecular weight of 1254.77 g/mol. Its IUPAC name is carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

• Compound Name: carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
• PubChem CID: 158497098
• Molecular Formula: C65H60ClN19O7
• Molecular Weight: 1254.77 g/mol
• Exact Mass: 1253.46
• IUPAC Name: carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
• SMILES: CCc1cc2[nH]c(=O)c3ccccc3n2n1.CN(Cc1cnn(C)c1)c1nc(CCl)nc2ccccc12.CN(Cc1cnn(C)c1)c1nc(Cn2c(=O)c3ccccc3n3nc(CO)cc23)nc2ccccc12.O=C=O.O=c1[nH]c2cc(CO)nn2c2ccccc12
• InChI: InChI=1S/C26H24N8O2.C15H16ClN5.C12H11N3O.C11H9N3O2.CO2/c1-31(13-17-12-27-32(2)14-17)25-19-7-3-5-9-21(19)28-23(29-25)15-33-24-11-18(16-35)30-34(24)22-10-6-4-8-20(22)26(33)36;1-20(9-11-8-17-21(2)10-11)15-12-5-3-4-6-13(12)18-14(7-16)19-15;1-2-8-7-11-13-12(16)9-5-3-4-6-10(9)15(11)14-8;15-6-7-5-10-12-11(16)8-3-1-2-4-9(8)14(10)13-7;2-1-3/h3-12,14,35H,13,15-16H2,1-2H3;3-6,8,10H,7,9H2,1-2H3;3-7H,2H2,1H3,(H,13,16);1-5,15H,6H2,(H,12,16)
• InChIKey: HJKVAOIGUAAHJF-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 307.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1254.77
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?

The IUPAC name of carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 158497098) is carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

What is the SMILES notation for carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?

The canonical SMILES for carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is CCc1cc2[nH]c(=O)c3ccccc3n2n1.CN(Cc1cnn(C)c1)c1nc(CCl)nc2ccccc12.CN(Cc1cnn(C)c1)c1nc(Cn2c(=O)c3ccccc3n3nc(CO)cc23)nc2ccccc12.O=C=O.O=c1[nH]c2cc(CO)nn2c2ccccc12.

What is the InChIKey of carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?

The InChIKey is HJKVAOIGUAAHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2.C15H16ClN5.C12H11N3O.C11H9N3O2.CO2/c1-31(13-17-12-27-32(2)14-17)25-19-7-3-5-9-21(19)28-23(29-25)15-33-24-11-18(16-35)30-34(24)22-10-6-4-8-20(22)26(33)36;1-20(9-11-8-17-21(2)10-11)15-12-5-3-4-6-13(12)18-14(7-16)19-15;1-2-8-7-11-13-12(16)9-5-3-4-6-10(9)15(11)14-8;15-6-7-5-10-12-11(16)8-3-1-2-4-9(8)14(10)13-7;2-1-3/h3-12,14,35H,13,15-16H2,1-2H3;3-6,8,10H,7,9H2,1-2H3;3-7H,2H2,1H3,(H,13,16);1-5,15H,6H2,(H,12,16);.

What are the key properties of carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?

carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 1254.77 g/mol, XLogP of 7.06, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 158497098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).