2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide

C18H23N5O — CID 99792474

IUPAC2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide
SMILESCc1cc2nc(NCCNC(=O)C(C)(C)C)c3ccccc3n2n1
InChIInChI=1S/C18H23N5O/c1-12-11-15-21-16(19-9-10-20-17(24)18(2,3)4)13-7-5-6-8-14(13)23(15)22-12/h5-8,11H,9-10H2,1-4H3,(H,19,21)(H,20,24)
InChIKeyHBVBMIWBJXPKEX-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.77
Rot. Bonds4

About 2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide (PubChem CID 99792474) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide
PubChem CID99792474
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide
SMILESCc1cc2nc(NCCNC(=O)C(C)(C)C)c3ccccc3n2n1
InChIInChI=1S/C18H23N5O/c1-12-11-15-21-16(19-9-10-20-17(24)18(2,3)4)13-7-5-6-8-14(13)23(15)22-12/h5-8,11H,9-10H2,1-4H3,(H,19,21)(H,20,24)
InChIKeyHBVBMIWBJXPKEX-UHFFFAOYSA-N
XLogP2.77
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide (CID 99792474) is 2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide is Cc1cc2nc(NCCNC(=O)C(C)(C)C)c3ccccc3n2n1.
What is the InChIKey of 2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide?
The InChIKey is HBVBMIWBJXPKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-11-15-21-16(19-9-10-20-17(24)18(2,3)4)13-7-5-6-8-14(13)23(15)22-12/h5-8,11H,9-10H2,1-4H3,(H,19,21)(H,20,24).
What are the key properties of 2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide?
2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide has a molecular weight of 325.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide is sourced from PubChem (CID 99792474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).