4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide

C21H24N6O3 — CID 3061443

IUPAC4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESCOc1cc2nc(N3CCN(C(=O)Nc4ccccc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C21H24N6O3/c1-29-17-12-15-16(13-18(17)30-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(28)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,28)(H2,22,24,25)
InChIKeyLWEWMCLJACLWLE-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.58
Rot. Bonds4

About 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide

4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 3061443) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID3061443
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESCOc1cc2nc(N3CCN(C(=O)Nc4ccccc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C21H24N6O3/c1-29-17-12-15-16(13-18(17)30-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(28)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,28)(H2,22,24,25)
InChIKeyLWEWMCLJACLWLE-UHFFFAOYSA-N
XLogP2.58
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide (CID 3061443) is 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide is COc1cc2nc(N3CCN(C(=O)Nc4ccccc4)CC3)nc(N)c2cc1OC.
What is the InChIKey of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is LWEWMCLJACLWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-29-17-12-15-16(13-18(17)30-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(28)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,28)(H2,22,24,25).
What are the key properties of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide?
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 3061443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).