2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline

C25H29N3O3 — CID 90237596

IUPAC2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline
SMILESCOc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2cc1OC
InChIInChI=1S/C25H29N3O3/c1-29-21-7-5-4-6-18(21)16-10-12-28(13-11-16)25-19-14-22(30-2)23(31-3)15-20(19)26-24(27-25)17-8-9-17/h4-7,14-17H,8-13H2,1-3H3
InChIKeyKSEPWCUCBVMLMT-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.92
Rot. Bonds6

About 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline

2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline (PubChem CID 90237596) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline
PubChem CID90237596
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline
SMILESCOc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2cc1OC
InChIInChI=1S/C25H29N3O3/c1-29-21-7-5-4-6-18(21)16-10-12-28(13-11-16)25-19-14-22(30-2)23(31-3)15-20(19)26-24(27-25)17-8-9-17/h4-7,14-17H,8-13H2,1-3H3
InChIKeyKSEPWCUCBVMLMT-UHFFFAOYSA-N
XLogP4.92
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline?
The IUPAC name of 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline (CID 90237596) is 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline?
The canonical SMILES for 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline is COc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2cc1OC.
What is the InChIKey of 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline?
The InChIKey is KSEPWCUCBVMLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-29-21-7-5-4-6-18(21)16-10-12-28(13-11-16)25-19-14-22(30-2)23(31-3)15-20(19)26-24(27-25)17-8-9-17/h4-7,14-17H,8-13H2,1-3H3.
What are the key properties of 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline?
2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline has a molecular weight of 419.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 90237596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).