7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one

C15H15N3O — CID 162388356

IUPAC7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one
SMILESC#CCn1c(=O)nc(NC)c2ccc(C3CC3)cc21
InChIInChI=1S/C15H15N3O/c1-3-8-18-13-9-11(10-4-5-10)6-7-12(13)14(16-2)17-15(18)19/h1,6-7,9-10H,4-5,8H2,2H3,(H,16,17,19)
InChIKeyBDLRMCFBODLKFO-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.95
Rot. Bonds3

About 7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one

7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one (PubChem CID 162388356) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one.

Molecular Properties

Compound Name7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one
PubChem CID162388356
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one
SMILESC#CCn1c(=O)nc(NC)c2ccc(C3CC3)cc21
InChIInChI=1S/C15H15N3O/c1-3-8-18-13-9-11(10-4-5-10)6-7-12(13)14(16-2)17-15(18)19/h1,6-7,9-10H,4-5,8H2,2H3,(H,16,17,19)
InChIKeyBDLRMCFBODLKFO-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one?
The IUPAC name of 7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one (CID 162388356) is 7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one.
What is the SMILES notation for 7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one?
The canonical SMILES for 7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one is C#CCn1c(=O)nc(NC)c2ccc(C3CC3)cc21.
What is the InChIKey of 7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one?
The InChIKey is BDLRMCFBODLKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-8-18-13-9-11(10-4-5-10)6-7-12(13)14(16-2)17-15(18)19/h1,6-7,9-10H,4-5,8H2,2H3,(H,16,17,19).
What are the key properties of 7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one?
7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one has a molecular weight of 253.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4-(methylamino)-1-prop-2-ynylquinazolin-2-one is sourced from PubChem (CID 162388356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).