(2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide

C18H24N4O2 — CID 121346570

IUPAC(2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2cccc(C)c2n1
InChIInChI=1S/C18H24N4O2/c1-11-6-5-7-13-15(11)20-12(2)21-16(13)18(3,4)22-17(23)14-10-19-8-9-24-14/h5-7,14,19H,8-10H2,1-4H3,(H,22,23)/t14-/m0/s1
InChIKeyWCJUZRCZVZZWOB-AWEZNQCLSA-N
MW328.42 g/mol
LogP1.59
Rot. Bonds3

About (2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide

(2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide (PubChem CID 121346570) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide
PubChem CID121346570
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2cccc(C)c2n1
InChIInChI=1S/C18H24N4O2/c1-11-6-5-7-13-15(11)20-12(2)21-16(13)18(3,4)22-17(23)14-10-19-8-9-24-14/h5-7,14,19H,8-10H2,1-4H3,(H,22,23)/t14-/m0/s1
InChIKeyWCJUZRCZVZZWOB-AWEZNQCLSA-N
XLogP1.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide (CID 121346570) is (2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide is Cc1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2cccc(C)c2n1.
What is the InChIKey of (2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide?
The InChIKey is WCJUZRCZVZZWOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11-6-5-7-13-15(11)20-12(2)21-16(13)18(3,4)22-17(23)14-10-19-8-9-24-14/h5-7,14,19H,8-10H2,1-4H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide?
(2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 121346570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).