1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one

C23H28N4O3 — CID 25062019

IUPAC1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCOCCCOc1c(-n2cc(C)c3c2CC(C)(C)CC3=O)ccc2c(N)ncnc12
InChIInChI=1S/C23H28N4O3/c1-14-12-27(17-10-23(2,3)11-18(28)19(14)17)16-7-6-15-20(25-13-26-22(15)24)21(16)30-9-5-8-29-4/h6-7,12-13H,5,8-11H2,1-4H3,(H2,24,25,26)
InChIKeyMUCWIUXEJNSXDX-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.88
Rot. Bonds6

About 1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one

1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 25062019) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID25062019
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCOCCCOc1c(-n2cc(C)c3c2CC(C)(C)CC3=O)ccc2c(N)ncnc12
InChIInChI=1S/C23H28N4O3/c1-14-12-27(17-10-23(2,3)11-18(28)19(14)17)16-7-6-15-20(25-13-26-22(15)24)21(16)30-9-5-8-29-4/h6-7,12-13H,5,8-11H2,1-4H3,(H2,24,25,26)
InChIKeyMUCWIUXEJNSXDX-UHFFFAOYSA-N
XLogP3.88
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one (CID 25062019) is 1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one is COCCCOc1c(-n2cc(C)c3c2CC(C)(C)CC3=O)ccc2c(N)ncnc12.
What is the InChIKey of 1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is MUCWIUXEJNSXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-14-12-27(17-10-23(2,3)11-18(28)19(14)17)16-7-6-15-20(25-13-26-22(15)24)21(16)30-9-5-8-29-4/h6-7,12-13H,5,8-11H2,1-4H3,(H2,24,25,26).
What are the key properties of 1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one?
1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 408.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 25062019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).