[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone

C21H27N5O3 — CID 126896267

IUPAC[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2ccc3ncnc(OCC4CC4)c3c2)CC1
InChIInChI=1S/C21H27N5O3/c27-21(26-9-11-28-12-10-26)25-7-5-24(6-8-25)17-3-4-19-18(13-17)20(23-15-22-19)29-14-16-1-2-16/h3-4,13,15-16H,1-2,5-12,14H2
InChIKeyJKFDMTHVLQBYPN-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.99
Rot. Bonds4

About [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 126896267) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID126896267
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2ccc3ncnc(OCC4CC4)c3c2)CC1
InChIInChI=1S/C21H27N5O3/c27-21(26-9-11-28-12-10-26)25-7-5-24(6-8-25)17-3-4-19-18(13-17)20(23-15-22-19)29-14-16-1-2-16/h3-4,13,15-16H,1-2,5-12,14H2
InChIKeyJKFDMTHVLQBYPN-UHFFFAOYSA-N
XLogP1.99
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896284
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126896274
4-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 126896363
1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol
CID 126896399
6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 126896407
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol
CID 126896397
4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896365
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126896354
4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896360
4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline
CID 126896308
1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896594
[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 126896615

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 126896267) is [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(c2ccc3ncnc(OCC4CC4)c3c2)CC1.
What is the InChIKey of [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is JKFDMTHVLQBYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-21(26-9-11-28-12-10-26)25-7-5-24(6-8-25)17-3-4-19-18(13-17)20(23-15-22-19)29-14-16-1-2-16/h3-4,13,15-16H,1-2,5-12,14H2.
What are the key properties of [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 397.48 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 126896267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).