6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine

C20H29N5O3 — CID 44605026

IUPAC6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine
SMILESCOc1cc2nc(N3CCOCC3)nc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
InChIKeyMEVMMQQJOXBSAX-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.99
Rot. Bonds5

About 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine

6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine (PubChem CID 44605026) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine
PubChem CID44605026
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine
SMILESCOc1cc2nc(N3CCOCC3)nc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
InChIKeyMEVMMQQJOXBSAX-UHFFFAOYSA-N
XLogP1.99
TPSA71.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine (CID 44605026) is 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine is COc1cc2nc(N3CCOCC3)nc(NC3CCN(C)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine?
The InChIKey is MEVMMQQJOXBSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23).
What are the key properties of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine?
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine has a molecular weight of 387.48 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 44605026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).