(2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide

C26H28F2N4O2 — CID 59302736

IUPAC(2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCc1ccc2c(N3CCC(NC(=O)[C@@H]4CCCO4)CC3)nc(-c3ccccc3C(F)F)nc2c1
InChIInChI=1S/C26H28F2N4O2/c1-16-8-9-20-21(15-16)30-24(19-6-3-2-5-18(19)23(27)28)31-25(20)32-12-10-17(11-13-32)29-26(33)22-7-4-14-34-22/h2-3,5-6,8-9,15,17,22-23H,4,7,10-14H2,1H3,(H,29,33)/t22-/m0/s1
InChIKeyKFUYXIOZNUAJPX-QFIPXVFZSA-N
MW466.53 g/mol
LogP4.81
Rot. Bonds5

About (2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide

(2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 59302736) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is (2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide
PubChem CID59302736
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC Name(2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCc1ccc2c(N3CCC(NC(=O)[C@@H]4CCCO4)CC3)nc(-c3ccccc3C(F)F)nc2c1
InChIInChI=1S/C26H28F2N4O2/c1-16-8-9-20-21(15-16)30-24(19-6-3-2-5-18(19)23(27)28)31-25(20)32-12-10-17(11-13-32)29-26(33)22-7-4-14-34-22/h2-3,5-6,8-9,15,17,22-23H,4,7,10-14H2,1H3,(H,29,33)/t22-/m0/s1
InChIKeyKFUYXIOZNUAJPX-QFIPXVFZSA-N
XLogP4.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide (CID 59302736) is (2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide is Cc1ccc2c(N3CCC(NC(=O)[C@@H]4CCCO4)CC3)nc(-c3ccccc3C(F)F)nc2c1.
What is the InChIKey of (2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is KFUYXIOZNUAJPX-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c1-16-8-9-20-21(15-16)30-24(19-6-3-2-5-18(19)23(27)28)31-25(20)32-12-10-17(11-13-32)29-26(33)22-7-4-14-34-22/h2-3,5-6,8-9,15,17,22-23H,4,7,10-14H2,1H3,(H,29,33)/t22-/m0/s1.
What are the key properties of (2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide?
(2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 466.53 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 59302736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).