N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide

C21H21N3O2 — CID 70780313

IUPACN,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide
SMILESCN(C(=O)c1ccc2c(=O)n(C)cnc2c1)C1CCCc2ccccc21
InChIInChI=1S/C21H21N3O2/c1-23-13-22-18-12-15(10-11-17(18)21(23)26)20(25)24(2)19-9-5-7-14-6-3-4-8-16(14)19/h3-4,6,8,10-13,19H,5,7,9H2,1-2H3
InChIKeyXJYVRHUSJMNBJY-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.08
Rot. Bonds2

About N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide

N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide (PubChem CID 70780313) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide
PubChem CID70780313
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide
SMILESCN(C(=O)c1ccc2c(=O)n(C)cnc2c1)C1CCCc2ccccc21
InChIInChI=1S/C21H21N3O2/c1-23-13-22-18-12-15(10-11-17(18)21(23)26)20(25)24(2)19-9-5-7-14-6-3-4-8-16(14)19/h3-4,6,8,10-13,19H,5,7,9H2,1-2H3
InChIKeyXJYVRHUSJMNBJY-UHFFFAOYSA-N
XLogP3.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
2-imidazol-1-yl-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 94816782
N-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51724937
N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 96576738
3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 41139254
N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46589652
2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide
CID 72837156
N,3-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 94823990
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide?
The IUPAC name of N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide (CID 70780313) is N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide.
What is the SMILES notation for N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide?
The canonical SMILES for N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide is CN(C(=O)c1ccc2c(=O)n(C)cnc2c1)C1CCCc2ccccc21.
What is the InChIKey of N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide?
The InChIKey is XJYVRHUSJMNBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-23-13-22-18-12-15(10-11-17(18)21(23)26)20(25)24(2)19-9-5-7-14-6-3-4-8-16(14)19/h3-4,6,8,10-13,19H,5,7,9H2,1-2H3.
What are the key properties of N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide?
N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide is sourced from PubChem (CID 70780313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).