N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide

C21H27N5O2 — CID 25384827

IUPACN-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1
InChIInChI=1S/C21H27N5O2/c1-14-4-5-15(12-22-14)19(27)24-17-10-21(2,3)11-18-16(17)13-23-20(25-18)26-6-8-28-9-7-26/h4-5,12-13,17H,6-11H2,1-3H3,(H,24,27)/t17-/m0/s1
InChIKeySDDABTBFYNSTKJ-KRWDZBQOSA-N
MW381.48 g/mol
LogP2.46
Rot. Bonds3

About N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide

N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide (PubChem CID 25384827) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide
PubChem CID25384827
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1
InChIInChI=1S/C21H27N5O2/c1-14-4-5-15(12-22-14)19(27)24-17-10-21(2,3)11-18-16(17)13-23-20(25-18)26-6-8-28-9-7-26/h4-5,12-13,17H,6-11H2,1-3H3,(H,24,27)/t17-/m0/s1
InChIKeySDDABTBFYNSTKJ-KRWDZBQOSA-N
XLogP2.46
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide (CID 25384827) is N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1.
What is the InChIKey of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is SDDABTBFYNSTKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-4-5-15(12-22-14)19(27)24-17-10-21(2,3)11-18-16(17)13-23-20(25-18)26-6-8-28-9-7-26/h4-5,12-13,17H,6-11H2,1-3H3,(H,24,27)/t17-/m0/s1.
What are the key properties of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide?
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 25384827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).