N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

C25H23N3O3 — CID 56522577

IUPACN-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NC(C)(c3ccccc3)c3ccccc3)ccc2c1=O
InChIInChI=1S/C25H23N3O3/c1-3-28-23(30)20-15-14-17(16-21(20)26-24(28)31)22(29)27-25(2,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16H,3H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyPVTPZDFWQXAAQP-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.40
Rot. Bonds5

About N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 56522577) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID56522577
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NC(C)(c3ccccc3)c3ccccc3)ccc2c1=O
InChIInChI=1S/C25H23N3O3/c1-3-28-23(30)20-15-14-17(16-21(20)26-24(28)31)22(29)27-25(2,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16H,3H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyPVTPZDFWQXAAQP-UHFFFAOYSA-N
XLogP3.40
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 56522577) is N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)NC(C)(c3ccccc3)c3ccccc3)ccc2c1=O.
What is the InChIKey of N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is PVTPZDFWQXAAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-28-23(30)20-15-14-17(16-21(20)26-24(28)31)22(29)27-25(2,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16H,3H2,1-2H3,(H,26,31)(H,27,29).
What are the key properties of N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 56522577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).