5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C19H19N3O2 — CID 629434

IUPAC5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCOc1cccc2c(=O)n3c(nc12)C(N(C)c1ccccc1)CC3
InChIInChI=1S/C19H19N3O2/c1-21(13-7-4-3-5-8-13)15-11-12-22-18(15)20-17-14(19(22)23)9-6-10-16(17)24-2/h3-10,15H,11-12H2,1-2H3
InChIKeyMRMJIOBFKOKOTM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.99
Rot. Bonds3

About 5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 629434) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID629434
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCOc1cccc2c(=O)n3c(nc12)C(N(C)c1ccccc1)CC3
InChIInChI=1S/C19H19N3O2/c1-21(13-7-4-3-5-8-13)15-11-12-22-18(15)20-17-14(19(22)23)9-6-10-16(17)24-2/h3-10,15H,11-12H2,1-2H3
InChIKeyMRMJIOBFKOKOTM-UHFFFAOYSA-N
XLogP2.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 629434) is 5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is COc1cccc2c(=O)n3c(nc12)C(N(C)c1ccccc1)CC3.
What is the InChIKey of 5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is MRMJIOBFKOKOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21(13-7-4-3-5-8-13)15-11-12-22-18(15)20-17-14(19(22)23)9-6-10-16(17)24-2/h3-10,15H,11-12H2,1-2H3.
What are the key properties of 5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 321.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(N-methylanilino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 629434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).