N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide

C23H27N3O5 — CID 3236310

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide
SMILESCOc1ccc(CCNC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC
InChIInChI=1S/C23H27N3O5/c1-30-19-11-10-16(15-20(19)31-2)12-13-24-21(27)9-5-6-14-26-22(28)17-7-3-4-8-18(17)25-23(26)29/h3-4,7-8,10-11,15H,5-6,9,12-14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyQRLQVSVZFCCKHR-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.24
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide (PubChem CID 3236310) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide
PubChem CID3236310
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide
SMILESCOc1ccc(CCNC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC
InChIInChI=1S/C23H27N3O5/c1-30-19-11-10-16(15-20(19)31-2)12-13-24-21(27)9-5-6-14-26-22(28)17-7-3-4-8-18(17)25-23(26)29/h3-4,7-8,10-11,15H,5-6,9,12-14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyQRLQVSVZFCCKHR-UHFFFAOYSA-N
XLogP2.24
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide (CID 3236310) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide is COc1ccc(CCNC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide?
The InChIKey is QRLQVSVZFCCKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-30-19-11-10-16(15-20(19)31-2)12-13-24-21(27)9-5-6-14-26-22(28)17-7-3-4-8-18(17)25-23(26)29/h3-4,7-8,10-11,15H,5-6,9,12-14H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide has a molecular weight of 425.49 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-quinazolin-3-yl)pentanamide is sourced from PubChem (CID 3236310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).