4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

C21H25ClN6O — CID 53467560

IUPAC4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESClc1nc(N2CCCC(Cn3ccnc3)C2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C21H25ClN6O/c22-21-24-19-12-17(27-8-10-29-11-9-27)3-4-18(19)20(25-21)28-6-1-2-16(14-28)13-26-7-5-23-15-26/h3-5,7,12,15-16H,1-2,6,8-11,13-14H2
InChIKeyKSTRRDSDONNTPT-UHFFFAOYSA-N
MW412.93 g/mol
LogP3.23
Rot. Bonds4

About 4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467560) has the molecular formula C21H25ClN6O and a molecular weight of 412.93 g/mol. Its IUPAC name is 4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467560
Molecular FormulaC21H25ClN6O
Molecular Weight412.93 g/mol
Exact Mass412.18
IUPAC Name4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESClc1nc(N2CCCC(Cn3ccnc3)C2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C21H25ClN6O/c22-21-24-19-12-17(27-8-10-29-11-9-27)3-4-18(19)20(25-21)28-6-1-2-16(14-28)13-26-7-5-23-15-26/h3-5,7,12,15-16H,1-2,6,8-11,13-14H2
InChIKeyKSTRRDSDONNTPT-UHFFFAOYSA-N
XLogP3.23
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.93
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467560) is 4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is Clc1nc(N2CCCC(Cn3ccnc3)C2)c2ccc(N3CCOCC3)cc2n1.
What is the InChIKey of 4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is KSTRRDSDONNTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O/c22-21-24-19-12-17(27-8-10-29-11-9-27)3-4-18(19)20(25-21)28-6-1-2-16(14-28)13-26-7-5-23-15-26/h3-5,7,12,15-16H,1-2,6,8-11,13-14H2.
What are the key properties of 4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 412.93 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).