1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine

C29H37N5O2 — CID 126679861

IUPAC1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCc1c(CN2CCOCC2)nc2n1-c1ccc(-c3ccc(N4CCN(C(C)C)CC4)cc3)cc1OC2
InChIInChI=1S/C29H37N5O2/c1-21(2)32-10-12-33(13-11-32)25-7-4-23(5-8-25)24-6-9-27-28(18-24)36-20-29-30-26(22(3)34(27)29)19-31-14-16-35-17-15-31/h4-9,18,21H,10-17,19-20H2,1-3H3
InChIKeyVQNCLTQMPHCHFR-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.10
Rot. Bonds5

About 1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine

1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine (PubChem CID 126679861) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
PubChem CID126679861
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCc1c(CN2CCOCC2)nc2n1-c1ccc(-c3ccc(N4CCN(C(C)C)CC4)cc3)cc1OC2
InChIInChI=1S/C29H37N5O2/c1-21(2)32-10-12-33(13-11-32)25-7-4-23(5-8-25)24-6-9-27-28(18-24)36-20-29-30-26(22(3)34(27)29)19-31-14-16-35-17-15-31/h4-9,18,21H,10-17,19-20H2,1-3H3
InChIKeyVQNCLTQMPHCHFR-UHFFFAOYSA-N
XLogP4.10
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine (CID 126679861) is 1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine is Cc1c(CN2CCOCC2)nc2n1-c1ccc(-c3ccc(N4CCN(C(C)C)CC4)cc3)cc1OC2.
What is the InChIKey of 1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The InChIKey is VQNCLTQMPHCHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-21(2)32-10-12-33(13-11-32)25-7-4-23(5-8-25)24-6-9-27-28(18-24)36-20-29-30-26(22(3)34(27)29)19-31-14-16-35-17-15-31/h4-9,18,21H,10-17,19-20H2,1-3H3.
What are the key properties of 1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine has a molecular weight of 487.65 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 126679861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).