3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide

C25H24N4O3 — CID 140544625

IUPAC3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1ccc2c(N3CC[C@H](Cc4ccoc4C(N)=O)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C25H24N4O3/c1-15-6-7-18-20(12-15)27-24(19-4-2-3-5-21(19)30)28-25(18)29-10-8-16(14-29)13-17-9-11-32-22(17)23(26)31/h2-7,9,11-12,16,30H,8,10,13-14H2,1H3,(H2,26,31)/t16-/m1/s1
InChIKeyWAVYRDQNOMERAO-MRXNPFEDSA-N
MW428.49 g/mol
LogP4.07
Rot. Bonds5

About 3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide

3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 140544625) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide
PubChem CID140544625
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1ccc2c(N3CC[C@H](Cc4ccoc4C(N)=O)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C25H24N4O3/c1-15-6-7-18-20(12-15)27-24(19-4-2-3-5-21(19)30)28-25(18)29-10-8-16(14-29)13-17-9-11-32-22(17)23(26)31/h2-7,9,11-12,16,30H,8,10,13-14H2,1H3,(H2,26,31)/t16-/m1/s1
InChIKeyWAVYRDQNOMERAO-MRXNPFEDSA-N
XLogP4.07
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of 3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide (CID 140544625) is 3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide is Cc1ccc2c(N3CC[C@H](Cc4ccoc4C(N)=O)C3)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of 3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is WAVYRDQNOMERAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-6-7-18-20(12-15)27-24(19-4-2-3-5-21(19)30)28-25(18)29-10-8-16(14-29)13-17-9-11-32-22(17)23(26)31/h2-7,9,11-12,16,30H,8,10,13-14H2,1H3,(H2,26,31)/t16-/m1/s1.
What are the key properties of 3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide?
3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 140544625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).