(4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate

C20H23N3O3 — CID 71460294

IUPAC(4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)Oc2ccc3c(c2)CN2CCCC2N3C)c1
InChIInChI=1S/C20H23N3O3/c1-22-18-9-8-17(11-14(18)13-23-10-4-7-19(22)23)26-20(24)21-15-5-3-6-16(12-15)25-2/h3,5-6,8-9,11-12,19H,4,7,10,13H2,1-2H3,(H,21,24)
InChIKeyNVDKATMGTBTTNE-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.68
Rot. Bonds3

About (4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate

(4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate (PubChem CID 71460294) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate
PubChem CID71460294
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)Oc2ccc3c(c2)CN2CCCC2N3C)c1
InChIInChI=1S/C20H23N3O3/c1-22-18-9-8-17(11-14(18)13-23-10-4-7-19(22)23)26-20(24)21-15-5-3-6-16(12-15)25-2/h3,5-6,8-9,11-12,19H,4,7,10,13H2,1-2H3,(H,21,24)
InChIKeyNVDKATMGTBTTNE-UHFFFAOYSA-N
XLogP3.68
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR)-N-(3-methoxyphenyl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 99748739
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
(4-methoxyphenyl) N-(3-aminophenyl)carbamate
CID 12941472
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 774408
phenyl 2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127519
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111
N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966767
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519264
(3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681768

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate?
The IUPAC name of (4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate (CID 71460294) is (4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate.
What is the SMILES notation for (4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate?
The canonical SMILES for (4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate is COc1cccc(NC(=O)Oc2ccc3c(c2)CN2CCCC2N3C)c1.
What is the InChIKey of (4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate?
The InChIKey is NVDKATMGTBTTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22-18-9-8-17(11-14(18)13-23-10-4-7-19(22)23)26-20(24)21-15-5-3-6-16(12-15)25-2/h3,5-6,8-9,11-12,19H,4,7,10,13H2,1-2H3,(H,21,24).
What are the key properties of (4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate?
(4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate has a molecular weight of 353.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-7-yl) N-(3-methoxyphenyl)carbamate is sourced from PubChem (CID 71460294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).