[1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C21H29N5O4 — CID 126463047

IUPAC[1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2nc(CN3CCCC(C(=O)N4CCOCC4)C3)nc(N)c2cc1OC
InChIInChI=1S/C21H29N5O4/c1-28-17-10-15-16(11-18(17)29-2)23-19(24-20(15)22)13-25-5-3-4-14(12-25)21(27)26-6-8-30-9-7-26/h10-11,14H,3-9,12-13H2,1-2H3,(H2,22,23,24)
InChIKeyOZLNIFCZAWAFIQ-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.30
Rot. Bonds5

About [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 126463047) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID126463047
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name[1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2nc(CN3CCCC(C(=O)N4CCOCC4)C3)nc(N)c2cc1OC
InChIInChI=1S/C21H29N5O4/c1-28-17-10-15-16(11-18(17)29-2)23-19(24-20(15)22)13-25-5-3-4-14(12-25)21(27)26-6-8-30-9-7-26/h10-11,14H,3-9,12-13H2,1-2H3,(H2,22,23,24)
InChIKeyOZLNIFCZAWAFIQ-UHFFFAOYSA-N
XLogP1.30
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 56557141
piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride
CID 163326491
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
morpholin-4-yl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56706828
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163352828
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163351854
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
[4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 18470634
[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 84592565
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
[(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 51728064

Frequently Asked Questions

What is the IUPAC name of [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 126463047) is [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is COc1cc2nc(CN3CCCC(C(=O)N4CCOCC4)C3)nc(N)c2cc1OC.
What is the InChIKey of [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OZLNIFCZAWAFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-28-17-10-15-16(11-18(17)29-2)23-19(24-20(15)22)13-25-5-3-4-14(12-25)21(27)26-6-8-30-9-7-26/h10-11,14H,3-9,12-13H2,1-2H3,(H2,22,23,24).
What are the key properties of [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 415.49 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 126463047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).