1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone

C14H16N2O2 — CID 163384636

IUPAC1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone
SMILESCOc1ccc2c(c1)N=C1CCC(C(C)=O)N1C2
InChIInChI=1S/C14H16N2O2/c1-9(17)13-5-6-14-15-12-7-11(18-2)4-3-10(12)8-16(13)14/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyYMCONAUGHYGWPF-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.29
Rot. Bonds2

About 1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone

1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone (PubChem CID 163384636) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone
PubChem CID163384636
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone
SMILESCOc1ccc2c(c1)N=C1CCC(C(C)=O)N1C2
InChIInChI=1S/C14H16N2O2/c1-9(17)13-5-6-14-15-12-7-11(18-2)4-3-10(12)8-16(13)14/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyYMCONAUGHYGWPF-UHFFFAOYSA-N
XLogP2.29
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone
CID 163384635
(1S)-7-bromo-N-[2-(4-methoxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
CID 171349665
ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate
CID 91304404
1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone
CID 106536762
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
(2R,3S)-3-hydroxy-1-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-2-methylbutan-1-one
CID 102574394
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098
2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 115511253
1-(4-cyclopentylpiperazin-1-yl)ethanone;7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 143540790
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
2-acetyl-5-methoxy-2,3-dihydroinden-1-one
CID 121012834

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone?
The IUPAC name of 1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone (CID 163384636) is 1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone is COc1ccc2c(c1)N=C1CCC(C(C)=O)N1C2.
What is the InChIKey of 1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone?
The InChIKey is YMCONAUGHYGWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(17)13-5-6-14-15-12-7-11(18-2)4-3-10(12)8-16(13)14/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone?
1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone has a molecular weight of 244.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone is sourced from PubChem (CID 163384636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).