6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine

C49H66N10O8 — CID 87638029

IUPAC6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine
SMILESC=CCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)ccc1OC.COc1cc2nc(NC3CCNCC3)nc(N3CCOCC3)c2cc1OC
InChIInChI=1S/C30H39N5O5.C19H27N5O3/c1-5-14-40-28-17-21(6-7-25(28)36-2)20-34-10-8-22(9-11-34)31-30-32-24-19-27(38-4)26(37-3)18-23(24)29(33-30)35-12-15-39-16-13-35;1-25-16-11-14-15(12-17(16)26-2)22-19(21-13-3-5-20-6-4-13)23-18(14)24-7-9-27-10-8-24/h5-7,17-19,22H,1,8-16,20H2,2-4H3,(H,31,32,33);11-13,20H,3-10H2,1-2H3,(H,21,22,23)
InChIKeyWWQWZVPJQCQKEY-UHFFFAOYSA-N
MW923.13 g/mol
LogP5.78
Rot. Bonds16

About 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine

6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine (PubChem CID 87638029) has the molecular formula C49H66N10O8 and a molecular weight of 923.13 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine
PubChem CID87638029
Molecular FormulaC49H66N10O8
Molecular Weight923.13 g/mol
Exact Mass922.51
IUPAC Name6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine
SMILESC=CCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)ccc1OC.COc1cc2nc(NC3CCNCC3)nc(N3CCOCC3)c2cc1OC
InChIInChI=1S/C30H39N5O5.C19H27N5O3/c1-5-14-40-28-17-21(6-7-25(28)36-2)20-34-10-8-22(9-11-34)31-30-32-24-19-27(38-4)26(37-3)18-23(24)29(33-30)35-12-15-39-16-13-35;1-25-16-11-14-15(12-17(16)26-2)22-19(21-13-3-5-20-6-4-13)23-18(14)24-7-9-27-10-8-24/h5-7,17-19,22H,1,8-16,20H2,2-4H3,(H,31,32,33);11-13,20H,3-10H2,1-2H3,(H,21,22,23)
InChIKeyWWQWZVPJQCQKEY-UHFFFAOYSA-N
XLogP5.78
TPSA171.21 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.13
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine?
The IUPAC name of 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine (CID 87638029) is 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine?
The canonical SMILES for 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine is C=CCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)ccc1OC.COc1cc2nc(NC3CCNCC3)nc(N3CCOCC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine?
The InChIKey is WWQWZVPJQCQKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O5.C19H27N5O3/c1-5-14-40-28-17-21(6-7-25(28)36-2)20-34-10-8-22(9-11-34)31-30-32-24-19-27(38-4)26(37-3)18-23(24)29(33-30)35-12-15-39-16-13-35;1-25-16-11-14-15(12-17(16)26-2)22-19(21-13-3-5-20-6-4-13)23-18(14)24-7-9-27-10-8-24/h5-7,17-19,22H,1,8-16,20H2,2-4H3,(H,31,32,33);11-13,20H,3-10H2,1-2H3,(H,21,22,23).
What are the key properties of 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine?
6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine has a molecular weight of 923.13 g/mol, XLogP of 5.78, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine is sourced from PubChem (CID 87638029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).