N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide

C25H20FN5O2 — CID 143198674

IUPACN-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1ccc2c(N3CC[C@@H](NC(=O)C4=C=C=NC=C4)C3)nc(-c3c(O)cccc3F)nc2c1
InChIInChI=1S/C25H20FN5O2/c1-15-5-6-18-20(13-15)29-23(22-19(26)3-2-4-21(22)32)30-24(18)31-12-9-17(14-31)28-25(33)16-7-10-27-11-8-16/h2-7,10,13,17,32H,9,12,14H2,1H3,(H,28,33)/t17-/m1/s1
InChIKeyCUDVREZPCSITJQ-QGZVFWFLSA-N
MW441.47 g/mol
LogP3.42
Rot. Bonds4

About N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide

N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 143198674) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID143198674
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC NameN-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1ccc2c(N3CC[C@@H](NC(=O)C4=C=C=NC=C4)C3)nc(-c3c(O)cccc3F)nc2c1
InChIInChI=1S/C25H20FN5O2/c1-15-5-6-18-20(13-15)29-23(22-19(26)3-2-4-21(22)32)30-24(18)31-12-9-17(14-31)28-25(33)16-7-10-27-11-8-16/h2-7,10,13,17,32H,9,12,14H2,1H3,(H,28,33)/t17-/m1/s1
InChIKeyCUDVREZPCSITJQ-QGZVFWFLSA-N
XLogP3.42
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide (CID 143198674) is N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide is Cc1ccc2c(N3CC[C@@H](NC(=O)C4=C=C=NC=C4)C3)nc(-c3c(O)cccc3F)nc2c1.
What is the InChIKey of N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is CUDVREZPCSITJQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-15-5-6-18-20(13-15)29-23(22-19(26)3-2-4-21(22)32)30-24(18)31-12-9-17(14-31)28-25(33)16-7-10-27-11-8-16/h2-7,10,13,17,32H,9,12,14H2,1H3,(H,28,33)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 143198674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).