1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea

C23H22N4O3 — CID 135779833

IUPAC1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
SMILESCc1ccccc1NC(=O)N(Cc1ccco1)C(C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H22N4O3/c1-15-8-3-5-11-19(15)25-23(29)27(14-17-9-7-13-30-17)16(2)21-24-20-12-6-4-10-18(20)22(28)26-21/h3-13,16H,14H2,1-2H3,(H,25,29)(H,24,26,28)
InChIKeyKMTJHZGHAUYJFU-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.62
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea

1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea (PubChem CID 135779833) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
PubChem CID135779833
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
SMILESCc1ccccc1NC(=O)N(Cc1ccco1)C(C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H22N4O3/c1-15-8-3-5-11-19(15)25-23(29)27(14-17-9-7-13-30-17)16(2)21-24-20-12-6-4-10-18(20)22(28)26-21/h3-13,16H,14H2,1-2H3,(H,25,29)(H,24,26,28)
InChIKeyKMTJHZGHAUYJFU-UHFFFAOYSA-N
XLogP4.62
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(furan-2-ylmethyl)-3-(2-methylphenyl)urea
CID 3903105
1-(6-aminohexyl)-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135449474
1-(6-aminohexyl)-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135516976
1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea
CID 3244728
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
CID 42715840
N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide
CID 42703658
3-(3-fluorophenyl)-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(furan-2-ylmethyl)urea
CID 11670555
2-[(1R)-1-[methyl-[(2-methylphenyl)methyl]amino]ethyl]-3H-quinazolin-4-one
CID 135808748
3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712578
1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718248
1-butyl-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)propyl]urea
CID 135462217
1-butyl-3-(3-chlorophenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135517988

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea (CID 135779833) is 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea is Cc1ccccc1NC(=O)N(Cc1ccco1)C(C)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea?
The InChIKey is KMTJHZGHAUYJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-8-3-5-11-19(15)25-23(29)27(14-17-9-7-13-30-17)16(2)21-24-20-12-6-4-10-18(20)22(28)26-21/h3-13,16H,14H2,1-2H3,(H,25,29)(H,24,26,28).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea?
1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea has a molecular weight of 402.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 135779833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).