4-propan-2-ylquinazoline;2-propan-2-ylquinoline

C23H25N3 — CID 160668104

IUPAC4-propan-2-ylquinazoline;2-propan-2-ylquinoline
SMILESCC(C)c1ccc2ccccc2n1.CC(C)c1ncnc2ccccc12
InChIInChI=1S/C12H13N.C11H12N2/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11/h3-9H,1-2H3;3-8H,1-2H3
InChIKeyRMOPOMSMALQTGA-UHFFFAOYSA-N
MW343.47 g/mol
LogP6.11
Rot. Bonds2

About 4-propan-2-ylquinazoline;2-propan-2-ylquinoline

4-propan-2-ylquinazoline;2-propan-2-ylquinoline (PubChem CID 160668104) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-propan-2-ylquinazoline;2-propan-2-ylquinoline.

Molecular Properties

Compound Name4-propan-2-ylquinazoline;2-propan-2-ylquinoline
PubChem CID160668104
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name4-propan-2-ylquinazoline;2-propan-2-ylquinoline
SMILESCC(C)c1ccc2ccccc2n1.CC(C)c1ncnc2ccccc12
InChIInChI=1S/C12H13N.C11H12N2/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11/h3-9H,1-2H3;3-8H,1-2H3
InChIKeyRMOPOMSMALQTGA-UHFFFAOYSA-N
XLogP6.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylquinazoline;2-propan-2-ylquinoline?
The IUPAC name of 4-propan-2-ylquinazoline;2-propan-2-ylquinoline (CID 160668104) is 4-propan-2-ylquinazoline;2-propan-2-ylquinoline.
What is the SMILES notation for 4-propan-2-ylquinazoline;2-propan-2-ylquinoline?
The canonical SMILES for 4-propan-2-ylquinazoline;2-propan-2-ylquinoline is CC(C)c1ccc2ccccc2n1.CC(C)c1ncnc2ccccc12.
What is the InChIKey of 4-propan-2-ylquinazoline;2-propan-2-ylquinoline?
The InChIKey is RMOPOMSMALQTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H12N2/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11/h3-9H,1-2H3;3-8H,1-2H3.
What are the key properties of 4-propan-2-ylquinazoline;2-propan-2-ylquinoline?
4-propan-2-ylquinazoline;2-propan-2-ylquinoline has a molecular weight of 343.47 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylquinazoline;2-propan-2-ylquinoline is sourced from PubChem (CID 160668104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).