N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide

C21H21N3O3 — CID 139001804

IUPACN-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ncc2c(n1)CCCC2NC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C21H21N3O3/c1-14-22-12-17-18(23-14)8-5-9-19(17)24-21(25)20-15(10-11-26-20)13-27-16-6-3-2-4-7-16/h2-4,6-7,10-12,19H,5,8-9,13H2,1H3,(H,24,25)
InChIKeyROTWERLAECKYSG-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.76
Rot. Bonds5

About N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide

N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 139001804) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID139001804
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ncc2c(n1)CCCC2NC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C21H21N3O3/c1-14-22-12-17-18(23-14)8-5-9-19(17)24-21(25)20-15(10-11-26-20)13-27-16-6-3-2-4-7-16/h2-4,6-7,10-12,19H,5,8-9,13H2,1H3,(H,24,25)
InChIKeyROTWERLAECKYSG-UHFFFAOYSA-N
XLogP3.76
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95740744
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-2-carboxamide
CID 95740666
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
CID 95740668
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide
CID 71689676
cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675727
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689664
N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17457516
2-indol-1-yl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95740709
2-methyl-N-[(5R)-2-pyridin-2-yl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95384879
2-methyl-N-[(5S)-2-pyridin-2-yl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95384880
N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide
CID 25292249

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide (CID 139001804) is N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide is Cc1ncc2c(n1)CCCC2NC(=O)c1occc1COc1ccccc1.
What is the InChIKey of N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is ROTWERLAECKYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-22-12-17-18(23-14)8-5-9-19(17)24-21(25)20-15(10-11-26-20)13-27-16-6-3-2-4-7-16/h2-4,6-7,10-12,19H,5,8-9,13H2,1H3,(H,24,25).
What are the key properties of N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide?
N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 139001804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).