N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

C19H23N3O3 — CID 98786116

IUPACN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H23N3O3/c23-17(20-8-7-14-10-12-5-6-13(14)9-12)11-22-18(24)15-3-1-2-4-16(15)21-19(22)25/h1-4,12-14H,5-11H2,(H,20,23)(H,21,25)/t12-,13-,14+/m0/s1
InChIKeyHGIGFGVMCMWFCS-MELADBBJSA-N
MW341.41 g/mol
LogP1.63
Rot. Bonds5

About N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (PubChem CID 98786116) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
PubChem CID98786116
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H23N3O3/c23-17(20-8-7-14-10-12-5-6-13(14)9-12)11-22-18(24)15-3-1-2-4-16(15)21-19(22)25/h1-4,12-14H,5-11H2,(H,20,23)(H,21,25)/t12-,13-,14+/m0/s1
InChIKeyHGIGFGVMCMWFCS-MELADBBJSA-N
XLogP1.63
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71893269
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119447887
N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 98790472
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide
CID 120599144
2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 55669099
N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 98784775
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71941249
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98755527
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
CID 7692705

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The IUPAC name of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (CID 98786116) is N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The InChIKey is HGIGFGVMCMWFCS-MELADBBJSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17(20-8-7-14-10-12-5-6-13(14)9-12)11-22-18(24)15-3-1-2-4-16(15)21-19(22)25/h1-4,12-14H,5-11H2,(H,20,23)(H,21,25)/t12-,13-,14+/m0/s1.
What are the key properties of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is sourced from PubChem (CID 98786116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).